COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.067   1.047  -2.469  1.00  0.00           C  
HETATM    2  C   UNL     1       1.077   1.141  -1.305  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.278   0.616  -1.646  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.629  -0.588  -1.965  1.00  0.00           C  
HETATM    5  C   UNL     1       0.035  -1.941  -2.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.338  -2.362  -3.483  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.858  -2.054  -3.490  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.050  -0.942  -2.432  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.714   0.263  -3.102  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.783   1.008  -4.055  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.667  -2.954  -1.108  1.00  0.00           C  
HETATM   12  C   UNL     1       1.524  -1.997  -1.830  1.00  0.00           C  
HETATM   13  C   UNL     1       1.988  -1.900  -0.388  1.00  0.00           C  
HETATM   14  C   UNL     1       1.346  -0.838   0.477  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.439  -0.931   2.070  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.719  -2.335   2.612  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.888  -2.950   1.837  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.106  -2.028   1.956  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.734  -0.636   1.438  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.926   0.307   1.608  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.669   2.537   1.137  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.917   1.987   0.444  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.248   3.820   0.468  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.104   3.882  -0.168  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.981   2.809   2.610  1.00  0.00           C  
HETATM   26  C   UNL     1       1.623   0.561  -0.009  1.00  0.00           C  
HETATM   27  C   UNL     1       2.341   1.467   0.606  1.00  0.00           C  
HETATM   28  C   UNL     1       3.148   1.244   1.855  1.00  0.00           C  
HETATM   29  C   UNL     1       4.557   1.806   1.658  1.00  0.00           C  
HETATM   30  C   UNL     1       5.600  -0.269   0.977  1.00  0.00           C  
HETATM   31  C   UNL     1       6.156  -1.035  -0.226  1.00  0.00           C  
HETATM   32  C   UNL     1       7.375  -0.292  -0.779  1.00  0.00           C  
HETATM   33  C   UNL     1       6.965   1.135  -1.157  1.00  0.00           C  
HETATM   34  C   UNL     1       6.386   1.837   0.073  1.00  0.00           C  
HETATM   35  C   UNL     1       2.475   1.955   3.031  1.00  0.00           C  
HETATM   36  C   UNL     1       2.257   2.797  -0.116  1.00  0.00           C  
HETATM   37  C   UNL     1       0.943   2.654  -0.929  1.00  0.00           C  
HETATM   38  N   UNL     1       5.222   1.088   0.563  1.00  0.00           N  
HETATM   39  O   UNL     1      -4.069  -0.056  -3.421  1.00  0.00           O  
HETATM   40  O   UNL     1       3.420  -1.706  -0.377  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.051  -1.020   0.697  1.00  0.00           O  
HETATM   42  O   UNL     1       0.443  -3.150   2.450  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.203  -4.232   2.385  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.181  -2.555   1.177  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.611   1.581   1.042  1.00  0.00           O  
HETATM   46  O   UNL     1      -1.620  -0.134   2.181  1.00  0.00           O  
HETATM   47  O   UNL     1      -0.192   2.872  -0.098  1.00  0.00           O  
HETATM   48  H   UNL     1       3.085   1.125  -2.087  1.00  0.00           H  
HETATM   49  H   UNL     1       1.941   0.091  -2.976  1.00  0.00           H  
HETATM   50  H   UNL     1       1.879   1.859  -3.172  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.092   1.356  -1.584  1.00  0.00           H  
HETATM   52  H   UNL     1       0.196  -1.744  -4.194  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.148  -3.420  -3.621  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.156  -1.682  -4.472  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.435  -2.935  -3.230  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.651  -1.289  -1.602  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.691   1.115  -2.423  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.174   0.513  -4.016  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.287   1.273  -4.988  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.804   0.686  -4.264  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.804   1.875  -3.395  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.747  -2.834  -1.194  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.389  -3.966  -1.406  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.363  -2.783  -0.075  1.00  0.00           H  
HETATM   65  H   UNL     1       1.848  -3.014  -2.195  1.00  0.00           H  
HETATM   66  H   UNL     1       2.063  -1.336  -2.497  1.00  0.00           H  
HETATM   67  H   UNL     1       1.827  -2.887   0.097  1.00  0.00           H  
HETATM   68  H   UNL     1       1.806  -0.935   1.494  1.00  0.00           H  
HETATM   69  H   UNL     1       0.364  -0.472   2.646  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.974  -2.272   3.670  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.614  -3.059   0.788  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.411  -1.959   3.000  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.468  -0.699   0.383  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.795  -0.111   1.100  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.148   0.426   2.669  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.222   1.059   0.928  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.724   2.716   0.516  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.694   1.793  -0.606  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.889   4.688   0.512  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.427   3.042  -0.145  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.838   4.775  -0.716  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.092   3.201   3.103  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.788   3.538   2.681  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.286   1.881   3.093  1.00  0.00           H  
HETATM   85  H   UNL     1       3.208   0.176   2.063  1.00  0.00           H  
HETATM   86  H   UNL     1       4.495   2.866   1.413  1.00  0.00           H  
HETATM   87  H   UNL     1       5.131   1.679   2.577  1.00  0.00           H  
HETATM   88  H   UNL     1       4.723  -0.788   1.364  1.00  0.00           H  
HETATM   89  H   UNL     1       6.362  -0.213   1.755  1.00  0.00           H  
HETATM   90  H   UNL     1       6.451  -2.037   0.085  1.00  0.00           H  
HETATM   91  H   UNL     1       5.390  -1.104  -0.999  1.00  0.00           H  
HETATM   92  H   UNL     1       8.156  -0.257  -0.019  1.00  0.00           H  
HETATM   93  H   UNL     1       7.749  -0.811  -1.662  1.00  0.00           H  
HETATM   94  H   UNL     1       7.839   1.682  -1.512  1.00  0.00           H  
HETATM   95  H   UNL     1       6.213   1.100  -1.945  1.00  0.00           H  
HETATM   96  H   UNL     1       7.144   1.883   0.855  1.00  0.00           H  
HETATM   97  H   UNL     1       6.081   2.848  -0.197  1.00  0.00           H  
HETATM   98  H   UNL     1       1.492   1.518   3.205  1.00  0.00           H  
HETATM   99  H   UNL     1       3.088   1.839   3.925  1.00  0.00           H  
HETATM  100  H   UNL     1       2.366   3.015   2.800  1.00  0.00           H  
HETATM  101  H   UNL     1       2.166   3.610   0.601  1.00  0.00           H  
HETATM  102  H   UNL     1       3.108   2.940  -0.770  1.00  0.00           H  
HETATM  103  H   UNL     1       0.948   3.276  -1.810  1.00  0.00           H  
HETATM  104  H   UNL     1       3.912  -2.380  -0.865  1.00  0.00           H  
HETATM  105  H   UNL     1       1.204  -2.860   2.971  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.473  -4.865   2.348  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.466  -3.439   1.447  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.318   3.794   0.162  1.00  0.00           H  
CONECT    1    2   48   49   50                                       
CONECT    2    1   26   37    3                                       
CONECT    3    2    4    4   51                                       
CONECT    4    3    3    5    8                                       
CONECT    5   12   11    4    6                                       
CONECT    6    5    7   52   53                                       
CONECT    7    6    8   54   55                                       
CONECT    8    4    9    7   56                                       
CONECT    9    8   39   57   58                                       
CONECT   10   39   59   60   61                                       
CONECT   11    5   62   63   64                                       
CONECT   12   13    5   65   66                                       
CONECT   13   14   40   12   67                                       
CONECT   14   41   26   13   68                                       
CONECT   15   16   46   41   69                                       
CONECT   16   17   42   15   70                                       
CONECT   17   43   18   16   71                                       
CONECT   18   44   17   19   72                                       
CONECT   19   18   20   46   73                                       
CONECT   20   45   19   74   75                                       
CONECT   21   23   25   45   22                                       
CONECT   22   21   76   77   78                                       
CONECT   23   24   24   21   79                                       
CONECT   24   23   23   80   81                                       
CONECT   25   21   82   83   84                                       
CONECT   26   14   27   27    2                                       
CONECT   27   28   26   26   36                                       
CONECT   28   29   27   35   85                                       
CONECT   29   38   28   86   87                                       
CONECT   30   38   31   88   89                                       
CONECT   31   32   30   90   91                                       
CONECT   32   33   31   92   93                                       
CONECT   33   34   32   94   95                                       
CONECT   34   33   38   96   97                                       
CONECT   35   28   98   99  100                                       
CONECT   36   27   37  101  102                                       
CONECT   37    2   36   47  103                                       
CONECT   38   34   29   30                                            
CONECT   39    9   10                                                 
CONECT   40   13  104                                                 
CONECT   41   15   14                                                 
CONECT   42   16  105                                                 
CONECT   43   17  106                                                 
CONECT   44   18  107                                                 
CONECT   45   21   20                                                 
CONECT   46   19   15                                                 
CONECT   47   37  108                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   35                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   37                                                      
CONECT  104   40                                                      
CONECT  105   42                                                      
CONECT  106   43                                                      
CONECT  107   44                                                      
CONECT  108   47                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
