COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.359  -3.371   0.605  1.00  0.00           C  
HETATM    2  C   UNL     1       3.619   3.644   1.970  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.209  -1.662  -0.671  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.140  -3.364   0.709  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.317  -2.418   0.091  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.694  -1.721   1.382  1.00  0.00           C  
HETATM    7  C   UNL     1       4.664  -3.157  -0.742  1.00  0.00           C  
HETATM    8  C   UNL     1       1.853   4.523   0.444  1.00  0.00           C  
HETATM    9  C   UNL     1       4.089   2.740   0.828  1.00  0.00           C  
HETATM   10  C   UNL     1       5.600   2.523   0.937  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.999  -1.887   0.277  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.241  -0.989   1.496  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.717   1.148  -0.650  1.00  0.00           C  
HETATM   14  C   UNL     1       0.416  -0.263  -0.775  1.00  0.00           C  
HETATM   15  O   UNL     1       0.252  -1.621  -0.359  1.00  0.00           O  
HETATM   16  C   UNL     1       1.884  -0.010  -1.125  1.00  0.00           C  
HETATM   17  O   UNL     1       2.693  -0.201   0.037  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.397  -0.016  -1.924  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.328   1.327  -2.409  1.00  0.00           C  
HETATM   20  C   UNL     1       1.111   1.644  -2.825  1.00  0.00           C  
HETATM   21  O   UNL     1       1.195   3.004  -3.257  1.00  0.00           O  
HETATM   22  C   UNL     1       2.041   1.429  -1.627  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.254   1.481  -3.616  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.610   1.298  -3.203  1.00  0.00           O  
HETATM   25  C   UNL     1       3.166  -1.539   0.203  1.00  0.00           C  
HETATM   26  C   UNL     1       3.801  -1.689   1.588  1.00  0.00           C  
HETATM   27  O   UNL     1       2.813  -1.457   2.594  1.00  0.00           O  
HETATM   28  O   UNL     1       4.141  -1.828  -0.801  1.00  0.00           O  
HETATM   29  O   UNL     1       5.833  -4.716   0.691  1.00  0.00           O  
HETATM   30  C   UNL     1       4.359  -3.108   1.735  1.00  0.00           C  
HETATM   31  O   UNL     1       3.289  -4.052   1.656  1.00  0.00           O  
HETATM   32  C   UNL     1       5.672  -3.359  -1.875  1.00  0.00           C  
HETATM   33  O   UNL     1       4.999  -3.273  -3.132  1.00  0.00           O  
HETATM   34  C   UNL     1       2.391   3.585  -0.640  1.00  0.00           C  
HETATM   35  O   UNL     1       1.692   2.339  -0.582  1.00  0.00           O  
HETATM   36  O   UNL     1       0.447   4.705   0.262  1.00  0.00           O  
HETATM   37  O   UNL     1       3.786   3.359  -0.424  1.00  0.00           O  
HETATM   38  O   UNL     1       4.327   4.884   1.920  1.00  0.00           O  
HETATM   39  C   UNL     1       2.117   3.905   1.820  1.00  0.00           C  
HETATM   40  O   UNL     1       1.684   4.807   2.840  1.00  0.00           O  
HETATM   41  O   UNL     1       6.020   1.587  -0.058  1.00  0.00           O  
HETATM   42  C   UNL     1      -7.411   0.499   1.646  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.926   0.678   0.692  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.491  -2.691  -0.828  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.490  -1.410   2.252  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.616  -3.746   0.476  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.983  -0.013   0.271  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.656  -0.546   1.233  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.225  -4.249  -0.141  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.229   0.932   2.502  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.310  -1.405  -1.024  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.214  -0.200   2.626  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.822  -0.977   0.350  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.202  -0.775  -0.306  1.00  0.00           C  
HETATM   55  O   UNL     1      -7.698   2.022  -0.928  1.00  0.00           O  
HETATM   56  O   UNL     1      -5.622   1.294  -1.139  1.00  0.00           O  
HETATM   57  H   UNL     1       6.199  -2.682   0.695  1.00  0.00           H  
HETATM   58  H   UNL     1       3.811   3.154   2.925  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.022  -2.140  -1.644  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.418  -0.613  -0.823  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.884  -3.472   1.764  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.277  -2.482   1.968  1.00  0.00           H  
HETATM   63  H   UNL     1       3.849  -3.873  -0.848  1.00  0.00           H  
HETATM   64  H   UNL     1       2.357   5.487   0.374  1.00  0.00           H  
HETATM   65  H   UNL     1       3.578   1.779   0.891  1.00  0.00           H  
HETATM   66  H   UNL     1       6.115   3.471   0.785  1.00  0.00           H  
HETATM   67  H   UNL     1       5.840   2.134   1.926  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.376  -1.065   2.166  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.326   0.049   1.174  1.00  0.00           H  
HETATM   70  H   UNL     1       0.115   0.403   0.034  1.00  0.00           H  
HETATM   71  H   UNL     1       2.197  -0.704  -1.906  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.638   2.014  -1.622  1.00  0.00           H  
HETATM   73  H   UNL     1       1.408   0.984  -3.640  1.00  0.00           H  
HETATM   74  H   UNL     1       0.627   3.213  -4.011  1.00  0.00           H  
HETATM   75  H   UNL     1       3.073   1.599  -1.931  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.135   2.478  -4.040  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.000   0.734  -4.368  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.254   1.383  -3.919  1.00  0.00           H  
HETATM   79  H   UNL     1       2.331  -2.234   0.109  1.00  0.00           H  
HETATM   80  H   UNL     1       4.609  -0.965   1.698  1.00  0.00           H  
HETATM   81  H   UNL     1       2.413  -0.578   2.557  1.00  0.00           H  
HETATM   82  H   UNL     1       6.281  -4.923   1.522  1.00  0.00           H  
HETATM   83  H   UNL     1       4.862  -3.204   2.697  1.00  0.00           H  
HETATM   84  H   UNL     1       2.618  -3.944   2.343  1.00  0.00           H  
HETATM   85  H   UNL     1       6.440  -2.588  -1.820  1.00  0.00           H  
HETATM   86  H   UNL     1       6.136  -4.341  -1.777  1.00  0.00           H  
HETATM   87  H   UNL     1       5.579  -3.392  -3.897  1.00  0.00           H  
HETATM   88  H   UNL     1       2.244   4.039  -1.620  1.00  0.00           H  
HETATM   89  H   UNL     1       0.207   5.089  -0.592  1.00  0.00           H  
HETATM   90  H   UNL     1       4.079   5.507   2.617  1.00  0.00           H  
HETATM   91  H   UNL     1       1.573   2.965   1.908  1.00  0.00           H  
HETATM   92  H   UNL     1       0.743   5.023   2.801  1.00  0.00           H  
HETATM   93  H   UNL     1       6.969   1.402  -0.048  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.087   1.350   1.510  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.964  -0.292   2.163  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.625   0.495  -0.340  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.588   1.543   0.730  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.041   0.871   1.299  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.124  -3.038  -1.794  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.126  -3.459  -0.383  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.751  -0.626   2.968  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.252  -2.307   2.841  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.706  -4.453  -0.344  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.060  -4.141   1.385  1.00  0.00           H  
HETATM  105  H   UNL     1       0.813  -3.958   0.018  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.358  -5.292   0.148  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.480  -4.129  -1.194  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.771   1.831   2.100  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.599   1.175   3.511  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.682  -0.641  -1.466  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.142  -1.623  -1.692  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.699  -1.085   3.039  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.398   0.108   3.275  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.225  -1.911   0.820  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.050  -0.095  -0.388  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.952  -1.164  -1.293  1.00  0.00           H  
HETATM  117  H   UNL     1      -8.461  -1.601   0.356  1.00  0.00           H  
HETATM  118  H   UNL     1      -7.480   2.751  -1.525  1.00  0.00           H  
CONECT    1    7   29   30   57                                       
CONECT    2   39   38    9   58                                       
CONECT    3    5   11   59   60                                       
CONECT    4   46   11   49   61                                       
CONECT    5    6   44   46    3                                       
CONECT    6   48   45    5   62                                       
CONECT    7   32   28    1   63                                       
CONECT    8   36   39   34   64                                       
CONECT    9    2   37   10   65                                       
CONECT   10    9   41   66   67                                       
CONECT   11   12    3    4   15                                       
CONECT   12   45   11   68   69                                       
CONECT   13   47   56   56   55                                       
CONECT   14   15   18   16   70                                       
CONECT   15   11   14                                                 
CONECT   16   14   17   22   71                                       
CONECT   17   25   16                                                 
CONECT   18   14   19                                                 
CONECT   19   18   23   20   72                                       
CONECT   20   19   22   21   73                                       
CONECT   21   20   74                                                 
CONECT   22   16   35   20   75                                       
CONECT   23   24   19   76   77                                       
CONECT   24   23   78                                                 
CONECT   25   28   17   26   79                                       
CONECT   26   25   30   27   80                                       
CONECT   27   26   81                                                 
CONECT   28    7   25                                                 
CONECT   29    1   82                                                 
CONECT   30    1   26   31   83                                       
CONECT   31   30   84                                                 
CONECT   32   33    7   85   86                                       
CONECT   33   32   87                                                 
CONECT   34   35    8   37   88                                       
CONECT   35   22   34                                                 
CONECT   36    8   89                                                 
CONECT   37   34    9                                                 
CONECT   38    2   90                                                 
CONECT   39   40    8    2   91                                       
CONECT   40   39   92                                                 
CONECT   41   10   93                                                 
CONECT   42   50   47   94   95                                       
CONECT   43   48   96   97   98                                       
CONECT   44   51    5   99  100                                       
CONECT   45    6   12  101  102                                       
CONECT   46    5    4  103  104                                       
CONECT   47   54   42   53   13                                       
CONECT   48   52   53    6   43                                       
CONECT   49    4  105  106  107                                       
CONECT   50   42   52  108  109                                       
CONECT   51   53   44  110  111                                       
CONECT   52   50   48  112  113                                       
CONECT   53   47   48   51  114                                       
CONECT   54   47  115  116  117                                       
CONECT   55   13  118                                                 
CONECT   56   13   13                                                 
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   14                                                      
CONECT   71   16                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   36                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   49                                                      
CONECT  106   49                                                      
CONECT  107   49                                                      
CONECT  108   50                                                      
CONECT  109   50                                                      
CONECT  110   51                                                      
CONECT  111   51                                                      
CONECT  112   52                                                      
CONECT  113   52                                                      
CONECT  114   53                                                      
CONECT  115   54                                                      
CONECT  116   54                                                      
CONECT  117   54                                                      
CONECT  118   55                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
