COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.001  -1.214  -0.261  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.795  -2.983  -0.098  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.320   2.805   5.026  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.071   1.207   5.391  1.00  0.00           C  
HETATM    5  C   UNL     1      18.907  -4.489   1.741  1.00  0.00           C  
HETATM    6  C   UNL     1      18.038  -3.427   1.066  1.00  0.00           C  
HETATM    7  C   UNL     1      16.562  -3.752   1.299  1.00  0.00           C  
HETATM    8  C   UNL     1      15.693  -2.689   0.623  1.00  0.00           C  
HETATM    9  C   UNL     1      14.216  -3.014   0.857  1.00  0.00           C  
HETATM   10  C   UNL     1      13.347  -1.952   0.181  1.00  0.00           C  
HETATM   11  C   UNL     1      11.870  -2.277   0.414  1.00  0.00           C  
HETATM   12  C   UNL     1       9.524  -1.539  -0.028  1.00  0.00           C  
HETATM   13  C   UNL     1       8.655  -0.477  -0.703  1.00  0.00           C  
HETATM   14  C   UNL     1       7.178  -0.802  -0.470  1.00  0.00           C  
HETATM   15  C   UNL     1       6.309   0.261  -1.146  1.00  0.00           C  
HETATM   16  C   UNL     1       4.832  -0.064  -0.913  1.00  0.00           C  
HETATM   17  C   UNL     1       3.963   0.998  -1.588  1.00  0.00           C  
HETATM   18  C   UNL     1       2.487   0.673  -1.355  1.00  0.00           C  
HETATM   19  C   UNL     1       1.631   1.720  -2.020  1.00  0.00           C  
HETATM   20  O   UNL     1       2.151   2.635  -2.622  1.00  0.00           O  
HETATM   21  N   UNL     1       0.287   1.638  -1.947  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.545   2.655  -2.594  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.713   3.850  -1.653  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.437   3.443  -0.491  1.00  0.00           O  
HETATM   25  P   UNL     1      -1.797   4.448   0.715  1.00  0.00           P  
HETATM   26  O   UNL     1      -0.557   5.083   1.215  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.805   5.585   0.183  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.498   3.626   1.908  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.842   4.216   3.163  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.488   3.161   4.063  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.488   2.148   4.425  1.00  0.00           N1+
HETATM   32  C   UNL     1      -2.072   1.417   3.220  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.918   2.062  -2.915  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.760   3.079  -3.463  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.762   0.947  -3.916  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.270  -0.234  -3.665  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.154  -0.434  -2.461  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.471  -1.081  -2.896  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.368  -1.284  -1.673  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.684  -1.931  -2.108  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.581  -2.133  -0.886  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.898  -2.781  -1.321  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.111  -3.631  -0.533  1.00  0.00           C  
HETATM   44  C   UNL     1     -12.009  -3.833   0.689  1.00  0.00           C  
HETATM   45  C   UNL     1     -13.325  -4.480   0.255  1.00  0.00           C  
HETATM   46  C   UNL     1     -14.222  -4.683   1.477  1.00  0.00           C  
HETATM   47  C   UNL     1     -15.538  -5.330   1.042  1.00  0.00           C  
HETATM   48  C   UNL     1     -16.436  -5.533   2.265  1.00  0.00           C  
HETATM   49  H   UNL     1      11.229  -0.236   0.162  1.00  0.00           H  
HETATM   50  H   UNL     1      11.206  -1.204  -1.332  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.291  -3.631   0.619  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.000  -2.018   0.366  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.578   2.053   5.295  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.887   3.503   4.310  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.628   3.347   5.920  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.380   1.749   6.285  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.938   0.719   4.945  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.329   0.455   5.660  1.00  0.00           H  
HETATM   59  H   UNL     1      19.959  -4.258   1.575  1.00  0.00           H  
HETATM   60  H   UNL     1      18.702  -4.499   2.812  1.00  0.00           H  
HETATM   61  H   UNL     1      18.680  -5.468   1.318  1.00  0.00           H  
HETATM   62  H   UNL     1      18.266  -2.448   1.489  1.00  0.00           H  
HETATM   63  H   UNL     1      18.243  -3.416  -0.005  1.00  0.00           H  
HETATM   64  H   UNL     1      16.334  -4.730   0.876  1.00  0.00           H  
HETATM   65  H   UNL     1      16.357  -3.762   2.370  1.00  0.00           H  
HETATM   66  H   UNL     1      15.920  -1.711   1.046  1.00  0.00           H  
HETATM   67  H   UNL     1      15.898  -2.679  -0.447  1.00  0.00           H  
HETATM   68  H   UNL     1      13.988  -3.993   0.434  1.00  0.00           H  
HETATM   69  H   UNL     1      14.011  -3.025   1.927  1.00  0.00           H  
HETATM   70  H   UNL     1      13.575  -0.973   0.604  1.00  0.00           H  
HETATM   71  H   UNL     1      13.552  -1.941  -0.889  1.00  0.00           H  
HETATM   72  H   UNL     1      11.665  -2.287   1.485  1.00  0.00           H  
HETATM   73  H   UNL     1      11.642  -3.255  -0.009  1.00  0.00           H  
HETATM   74  H   UNL     1       9.296  -2.518  -0.451  1.00  0.00           H  
HETATM   75  H   UNL     1       9.319  -1.550   1.043  1.00  0.00           H  
HETATM   76  H   UNL     1       8.883   0.502  -0.280  1.00  0.00           H  
HETATM   77  H   UNL     1       8.860  -0.467  -1.774  1.00  0.00           H  
HETATM   78  H   UNL     1       6.951  -1.780  -0.893  1.00  0.00           H  
HETATM   79  H   UNL     1       6.973  -0.812   0.600  1.00  0.00           H  
HETATM   80  H   UNL     1       6.537   1.239  -0.723  1.00  0.00           H  
HETATM   81  H   UNL     1       6.514   0.271  -2.216  1.00  0.00           H  
HETATM   82  H   UNL     1       4.605  -1.043  -1.336  1.00  0.00           H  
HETATM   83  H   UNL     1       4.627  -0.075   0.158  1.00  0.00           H  
HETATM   84  H   UNL     1       4.191   1.977  -1.165  1.00  0.00           H  
HETATM   85  H   UNL     1       4.168   1.008  -2.659  1.00  0.00           H  
HETATM   86  H   UNL     1       2.259  -0.306  -1.778  1.00  0.00           H  
HETATM   87  H   UNL     1       2.282   0.663  -0.285  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.128   0.905  -1.466  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.066   2.984  -3.516  1.00  0.00           H  
HETATM   90  H   UNL     1       0.269   4.221  -1.358  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.261   4.641  -2.165  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.641   5.241  -0.161  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.942   4.601   3.642  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.545   5.033   2.999  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.867   3.637   4.967  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.312   2.685   3.531  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.463   0.560   3.507  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.955   1.072   2.682  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.490   2.078   2.578  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.368   1.671  -2.002  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.461   3.419  -4.317  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.230   1.120  -4.840  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.056  -1.065  -4.321  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.650  -1.082  -1.744  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.360   0.531  -1.997  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.975  -0.433  -3.613  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.265  -2.046  -3.360  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.864  -1.931  -0.956  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.573  -0.319  -1.210  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.188  -1.283  -2.826  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.479  -2.896  -2.572  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.077  -2.781  -0.169  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.787  -1.169  -0.422  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.692  -3.746  -1.784  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.402  -2.133  -2.038  1.00  0.00           H  
HETATM  116  H   UNL     1     -11.615  -2.983  -1.250  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.906  -4.595  -0.997  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.505  -4.481   1.407  1.00  0.00           H  
HETATM  119  H   UNL     1     -12.214  -2.868   1.153  1.00  0.00           H  
HETATM  120  H   UNL     1     -13.829  -3.832  -0.463  1.00  0.00           H  
HETATM  121  H   UNL     1     -13.119  -5.445  -0.209  1.00  0.00           H  
HETATM  122  H   UNL     1     -13.718  -5.331   2.194  1.00  0.00           H  
HETATM  123  H   UNL     1     -14.428  -3.718   1.941  1.00  0.00           H  
HETATM  124  H   UNL     1     -16.042  -4.682   0.325  1.00  0.00           H  
HETATM  125  H   UNL     1     -15.333  -6.295   0.578  1.00  0.00           H  
HETATM  126  H   UNL     1     -15.932  -6.181   2.982  1.00  0.00           H  
HETATM  127  H   UNL     1     -16.641  -4.568   2.728  1.00  0.00           H  
HETATM  128  H   UNL     1     -17.374  -5.994   1.955  1.00  0.00           H  
CONECT    1   11   12   49   50                                       
CONECT    2   42   43   51   52                                       
CONECT    3   31   53   54   55                                       
CONECT    4   31   56   57   58                                       
CONECT    5    6   59   60   61                                       
CONECT    6    5    7   62   63                                       
CONECT    7    6    8   64   65                                       
CONECT    8    7    9   66   67                                       
CONECT    9    8   10   68   69                                       
CONECT   10    9   11   70   71                                       
CONECT   11   10    1   72   73                                       
CONECT   12    1   13   74   75                                       
CONECT   13   12   14   76   77                                       
CONECT   14   13   15   78   79                                       
CONECT   15   14   16   80   81                                       
CONECT   16   15   17   82   83                                       
CONECT   17   18   16   84   85                                       
CONECT   18   17   19   86   87                                       
CONECT   19   21   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   88                                            
CONECT   22   23   21   33   89                                       
CONECT   23   24   22   90   91                                       
CONECT   24   25   23                                                 
CONECT   25   26   26   28   24                                       
CONECT   25   27                                                      
CONECT   26   25   25                                                 
CONECT   27   25   92                                                 
CONECT   28   29   25                                                 
CONECT   29   30   28   93   94                                       
CONECT   30   31   29   95   96                                       
CONECT   31    4    3   32   30                                       
CONECT   32   31   97   98   99                                       
CONECT   33   34   22   35  100                                       
CONECT   34   33  101                                                 
CONECT   35   33   36   36  102                                       
CONECT   36   35   35   37  103                                       
CONECT   37   36   38  104  105                                       
CONECT   38   37   39  106  107                                       
CONECT   39   38   40  108  109                                       
CONECT   40   39   41  110  111                                       
CONECT   41   40   42  112  113                                       
CONECT   42   41    2  114  115                                       
CONECT   43   44    2  116  117                                       
CONECT   44   45   43  118  119                                       
CONECT   45   46   44  120  121                                       
CONECT   46   47   45  122  123                                       
CONECT   47   46   48  124  125                                       
CONECT   48   47  126  127  128                                       
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69    9                                                      
CONECT   70   10                                                      
CONECT   71   10                                                      
CONECT   72   11                                                      
CONECT   73   11                                                      
CONECT   74   12                                                      
CONECT   75   12                                                      
CONECT   76   13                                                      
CONECT   77   13                                                      
CONECT   78   14                                                      
CONECT   79   14                                                      
CONECT   80   15                                                      
CONECT   81   15                                                      
CONECT   82   16                                                      
CONECT   83   16                                                      
CONECT   84   17                                                      
CONECT   85   17                                                      
CONECT   86   18                                                      
CONECT   87   18                                                      
CONECT   88   21                                                      
CONECT   89   22                                                      
CONECT   90   23                                                      
CONECT   91   23                                                      
CONECT   92   27                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   32                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   34                                                      
CONECT  102   35                                                      
CONECT  103   36                                                      
CONECT  104   37                                                      
CONECT  105   37                                                      
CONECT  106   38                                                      
CONECT  107   38                                                      
CONECT  108   39                                                      
CONECT  109   39                                                      
CONECT  110   40                                                      
CONECT  111   40                                                      
CONECT  112   41                                                      
CONECT  113   41                                                      
CONECT  114   42                                                      
CONECT  115   42                                                      
CONECT  116   43                                                      
CONECT  117   43                                                      
CONECT  118   44                                                      
CONECT  119   44                                                      
CONECT  120   45                                                      
CONECT  121   45                                                      
CONECT  122   46                                                      
CONECT  123   46                                                      
CONECT  124   47                                                      
CONECT  125   47                                                      
CONECT  126   48                                                      
CONECT  127   48                                                      
CONECT  128   48                                                      
MASTER        0    0    0    0    0    0    0    0  128    0  128    0
END
