COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.887   5.270   0.145  1.00  0.00           C  
HETATM    2  C   UNL     1       3.797   4.787  -1.008  1.00  0.00           C  
HETATM    3  C   UNL     1       6.328   6.027   1.399  1.00  0.00           C  
HETATM    4  C   UNL     1       3.481   0.362   0.929  1.00  0.00           C  
HETATM    5  C   UNL     1       1.685   0.712   2.488  1.00  0.00           C  
HETATM    6  C   UNL     1       1.527  -0.788   2.226  1.00  0.00           C  
HETATM    7  C   UNL     1       0.122  -1.233   2.633  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.316  -1.000   2.139  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.754  -0.767   1.644  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.192  -0.534   1.149  1.00  0.00           C  
HETATM   11  C   UNL     1       3.323   0.394  -2.095  1.00  0.00           C  
HETATM   12  C   UNL     1       3.424  -0.994  -2.765  1.00  0.00           C  
HETATM   13  C   UNL     1       4.632   0.515  -1.283  1.00  0.00           C  
HETATM   14  C   UNL     1       4.372   1.234   0.042  1.00  0.00           C  
HETATM   15  C   UNL     1       4.601   3.527  -0.616  1.00  0.00           C  
HETATM   16  C   UNL     1       4.662   5.960  -0.496  1.00  0.00           C  
HETATM   17  C   UNL     1       3.041   2.586   1.784  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.911  -0.554   1.731  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.349  -0.321   1.236  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.786  -0.088   0.741  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.224   0.145   0.246  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.630  -0.301   0.654  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.662   0.378  -0.249  1.00  0.00           C  
HETATM   24  C   UNL     1     -12.068  -0.068   0.159  1.00  0.00           C  
HETATM   25  C   UNL     1     -13.100   0.611  -0.743  1.00  0.00           C  
HETATM   26  C   UNL     1     -14.506   0.165  -0.336  1.00  0.00           C  
HETATM   27  C   UNL     1     -15.538   0.844  -1.238  1.00  0.00           C  
HETATM   28  C   UNL     1     -16.944   0.398  -0.831  1.00  0.00           C  
HETATM   29  C   UNL     1     -17.976   1.077  -1.733  1.00  0.00           C  
HETATM   30  C   UNL     1     -19.381   0.632  -1.325  1.00  0.00           C  
HETATM   31  C   UNL     1       2.568  -1.549   3.050  1.00  0.00           C  
HETATM   32  C   UNL     1       2.028  -2.913   3.394  1.00  0.00           C  
HETATM   33  C   UNL     1       4.622  -2.890   2.560  1.00  0.00           C  
HETATM   34  C   UNL     1       4.260  -0.834   1.393  1.00  0.00           C  
HETATM   35  C   UNL     1       4.782  -1.548  -2.279  1.00  0.00           C  
HETATM   36  C   UNL     1       5.403  -3.841  -2.796  1.00  0.00           C  
HETATM   37  C   UNL     1       3.873  -3.459  -1.043  1.00  0.00           C  
HETATM   38  C   UNL     1       3.786  -4.788  -0.821  1.00  0.00           C  
HETATM   39  C   UNL     1       4.545  -5.672  -1.626  1.00  0.00           C  
HETATM   40  N   UNL     1       7.562   5.427   1.924  1.00  0.00           N  
HETATM   41  N   UNL     1       3.025   1.149   2.086  1.00  0.00           N  
HETATM   42  N   UNL     1       3.810  -1.699   2.298  1.00  0.00           N  
HETATM   43  N   UNL     1       4.688  -2.990  -2.038  1.00  0.00           N  
HETATM   44  N   UNL     1       5.336  -5.170  -2.596  1.00  0.00           N  
HETATM   45  O   UNL     1       3.247   1.423  -3.084  1.00  0.00           O  
HETATM   46  O   UNL     1       3.417  -0.865  -4.188  1.00  0.00           O  
HETATM   47  O   UNL     1       3.718   2.479  -0.212  1.00  0.00           O  
HETATM   48  O   UNL     1       5.425   3.947   0.493  1.00  0.00           O  
HETATM   49  O   UNL     1       5.069   6.794  -1.582  1.00  0.00           O  
HETATM   50  O   UNL     1       3.642   4.861  -2.427  1.00  0.00           O  
HETATM   51  O   UNL     1       1.163  -3.056   4.411  1.00  0.00           O  
HETATM   52  O   UNL     1       2.373  -3.879   2.754  1.00  0.00           O  
HETATM   53  O   UNL     1       5.359  -1.023   0.915  1.00  0.00           O  
HETATM   54  O   UNL     1       5.044  -0.848  -1.043  1.00  0.00           O  
HETATM   55  O   UNL     1       6.117  -3.402  -3.678  1.00  0.00           O  
HETATM   56  O   UNL     1       4.484  -6.874  -1.444  1.00  0.00           O  
HETATM   57  H   UNL     1       6.707   5.212  -0.570  1.00  0.00           H  
HETATM   58  H   UNL     1       2.823   4.788  -0.519  1.00  0.00           H  
HETATM   59  H   UNL     1       6.511   7.072   1.148  1.00  0.00           H  
HETATM   60  H   UNL     1       5.545   5.966   2.155  1.00  0.00           H  
HETATM   61  H   UNL     1       2.616   0.028   0.356  1.00  0.00           H  
HETATM   62  H   UNL     1       0.938   1.261   1.915  1.00  0.00           H  
HETATM   63  H   UNL     1       1.544   0.910   3.551  1.00  0.00           H  
HETATM   64  H   UNL     1       1.681  -0.991   1.166  1.00  0.00           H  
HETATM   65  H   UNL     1       0.039  -2.315   2.530  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.062  -0.953   3.671  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.399  -2.082   2.035  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.500  -0.720   3.176  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.837  -1.849   1.540  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.938  -0.487   2.681  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.274  -1.616   1.045  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.376  -0.254   2.186  1.00  0.00           H  
HETATM   73  H   UNL     1       2.458   0.437  -1.434  1.00  0.00           H  
HETATM   74  H   UNL     1       2.609  -1.638  -2.435  1.00  0.00           H  
HETATM   75  H   UNL     1       5.389   1.047  -1.860  1.00  0.00           H  
HETATM   76  H   UNL     1       5.320   1.418   0.548  1.00  0.00           H  
HETATM   77  H   UNL     1       5.223   3.200  -1.449  1.00  0.00           H  
HETATM   78  H   UNL     1       4.117   6.540   0.249  1.00  0.00           H  
HETATM   79  H   UNL     1       2.380   2.789   0.942  1.00  0.00           H  
HETATM   80  H   UNL     1       2.700   3.145   2.656  1.00  0.00           H  
HETATM   81  H   UNL     1       4.056   2.893   1.531  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.828   0.527   1.835  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.727  -0.835   0.694  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.266   0.761   1.340  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.165  -0.602   0.199  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.704   0.994   0.845  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.603  -0.369  -0.296  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.142   1.227   0.350  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.041  -0.136  -0.791  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.712  -1.383   0.550  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.814  -0.020   1.691  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.580   1.460  -0.145  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.478   0.097  -1.286  1.00  0.00           H  
HETATM   94  H   UNL     1     -12.150  -1.150   0.055  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.252   0.213   1.196  1.00  0.00           H  
HETATM   96  H   UNL     1     -13.018   1.693  -0.640  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.916   0.331  -1.781  1.00  0.00           H  
HETATM   98  H   UNL     1     -14.588  -0.917  -0.439  1.00  0.00           H  
HETATM   99  H   UNL     1     -14.689   0.446   0.701  1.00  0.00           H  
HETATM  100  H   UNL     1     -15.455   1.926  -1.134  1.00  0.00           H  
HETATM  101  H   UNL     1     -15.354   0.564  -2.275  1.00  0.00           H  
HETATM  102  H   UNL     1     -17.026  -0.683  -0.934  1.00  0.00           H  
HETATM  103  H   UNL     1     -17.127   0.679   0.207  1.00  0.00           H  
HETATM  104  H   UNL     1     -17.893   2.159  -1.629  1.00  0.00           H  
HETATM  105  H   UNL     1     -17.792   0.797  -2.770  1.00  0.00           H  
HETATM  106  H   UNL     1     -19.464  -0.450  -1.429  1.00  0.00           H  
HETATM  107  H   UNL     1     -19.565   0.912  -0.288  1.00  0.00           H  
HETATM  108  H   UNL     1     -20.117   1.115  -1.968  1.00  0.00           H  
HETATM  109  H   UNL     1       2.770  -1.000   3.970  1.00  0.00           H  
HETATM  110  H   UNL     1       4.317  -3.693   1.888  1.00  0.00           H  
HETATM  111  H   UNL     1       5.674  -2.657   2.392  1.00  0.00           H  
HETATM  112  H   UNL     1       4.480  -3.207   3.593  1.00  0.00           H  
HETATM  113  H   UNL     1       5.562  -1.336  -3.010  1.00  0.00           H  
HETATM  114  H   UNL     1       3.302  -2.770  -0.440  1.00  0.00           H  
HETATM  115  H   UNL     1       3.148  -5.172  -0.039  1.00  0.00           H  
HETATM  116  H   UNL     1       7.875   5.910   2.754  1.00  0.00           H  
HETATM  117  H   UNL     1       7.438   4.442   2.105  1.00  0.00           H  
HETATM  118  H   UNL     1       5.858  -5.769  -3.151  1.00  0.00           H  
HETATM  119  H   UNL     1       2.474   1.359  -3.661  1.00  0.00           H  
HETATM  120  H   UNL     1       3.478  -1.707  -4.660  1.00  0.00           H  
HETATM  121  H   UNL     1       4.339   7.252  -2.021  1.00  0.00           H  
HETATM  122  H   UNL     1       3.107   4.148  -2.802  1.00  0.00           H  
HETATM  123  H   UNL     1       0.844  -3.951   4.593  1.00  0.00           H  
CONECT    1   48    3   16   57                                       
CONECT    2   15   50   16   58                                       
CONECT    3    1   40   59   60                                       
CONECT    4   34   41   14   61                                       
CONECT    5    6   41   62   63                                       
CONECT    6   31    7    5   64                                       
CONECT    7   18    6   65   66                                       
CONECT    8   19   18   67   68                                       
CONECT    9   19   20   69   70                                       
CONECT   10   20   21   71   72                                       
CONECT   11   45   13   12   73                                       
CONECT   12   46   11   35   74                                       
CONECT   13   11   14   54   75                                       
CONECT   14    4   13   47   76                                       
CONECT   15   47   48    2   77                                       
CONECT   16    2    1   49   78                                       
CONECT   17   41   79   80   81                                       
CONECT   18    8    7   82   83                                       
CONECT   19    9    8   84   85                                       
CONECT   20    9   10   86   87                                       
CONECT   21   10   22   88   89                                       
CONECT   22   21   23   90   91                                       
CONECT   23   22   24   92   93                                       
CONECT   24   23   25   94   95                                       
CONECT   25   24   26   96   97                                       
CONECT   26   25   27   98   99                                       
CONECT   27   26   28  100  101                                       
CONECT   28   27   29  102  103                                       
CONECT   29   28   30  104  105                                       
CONECT   30   29  106  107  108                                       
CONECT   31   42   32    6  109                                       
CONECT   32   31   52   52   51                                       
CONECT   33   42  110  111  112                                       
CONECT   34   42   53   53    4                                       
CONECT   35   54   12   43  113                                       
CONECT   36   55   55   43   44                                       
CONECT   37   43   38   38  114                                       
CONECT   38   37   37   39  115                                       
CONECT   39   44   38   56   56                                       
CONECT   40    3  116  117                                            
CONECT   41    4    5   17                                            
CONECT   42   33   31   34                                            
CONECT   43   35   36   37                                            
CONECT   44   36   39  118                                            
CONECT   45   11  119                                                 
CONECT   46   12  120                                                 
CONECT   47   14   15                                                 
CONECT   48   15    1                                                 
CONECT   49   16  121                                                 
CONECT   50    2  122                                                 
CONECT   51   32  123                                                 
CONECT   52   32   32                                                 
CONECT   53   34   34                                                 
CONECT   54   13   35                                                 
CONECT   55   36   36                                                 
CONECT   56   39   39                                                 
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70    9                                                      
CONECT   71   10                                                      
CONECT   72   10                                                      
CONECT   73   11                                                      
CONECT   74   12                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   16                                                      
CONECT   79   17                                                      
CONECT   80   17                                                      
CONECT   81   17                                                      
CONECT   82   18                                                      
CONECT   83   18                                                      
CONECT   84   19                                                      
CONECT   85   19                                                      
CONECT   86   20                                                      
CONECT   87   20                                                      
CONECT   88   21                                                      
CONECT   89   21                                                      
CONECT   90   22                                                      
CONECT   91   22                                                      
CONECT   92   23                                                      
CONECT   93   23                                                      
CONECT   94   24                                                      
CONECT   95   24                                                      
CONECT   96   25                                                      
CONECT   97   25                                                      
CONECT   98   26                                                      
CONECT   99   26                                                      
CONECT  100   27                                                      
CONECT  101   27                                                      
CONECT  102   28                                                      
CONECT  103   28                                                      
CONECT  104   29                                                      
CONECT  105   29                                                      
CONECT  106   30                                                      
CONECT  107   30                                                      
CONECT  108   30                                                      
CONECT  109   31                                                      
CONECT  110   33                                                      
CONECT  111   33                                                      
CONECT  112   33                                                      
CONECT  113   35                                                      
CONECT  114   37                                                      
CONECT  115   38                                                      
CONECT  116   40                                                      
CONECT  117   40                                                      
CONECT  118   44                                                      
CONECT  119   45                                                      
CONECT  120   46                                                      
CONECT  121   49                                                      
CONECT  122   50                                                      
CONECT  123   51                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
