COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.733  -2.593   0.768  1.00  0.00           C  
HETATM    2  C   UNL     1       6.686  -3.515   0.006  1.00  0.00           C  
HETATM    3  C   UNL     1       6.982  -2.917  -1.371  1.00  0.00           C  
HETATM    4  C   UNL     1       5.676  -2.771  -2.155  1.00  0.00           C  
HETATM    5  C   UNL     1       4.723  -1.849  -1.393  1.00  0.00           C  
HETATM    6  C   UNL     1       4.427  -2.447  -0.016  1.00  0.00           C  
HETATM    7  C   UNL     1       3.474  -1.525   0.747  1.00  0.00           C  
HETATM    8  C   UNL     1       2.069  -1.687   0.230  1.00  0.00           C  
HETATM    9  O   UNL     1       1.606  -0.795  -0.450  1.00  0.00           O  
HETATM   10  N   UNL     1       1.303  -2.750   0.472  1.00  0.00           N  
HETATM   11  C   UNL     1       1.823  -3.932   1.162  1.00  0.00           C  
HETATM   12  C   UNL     1       1.556  -5.195   0.356  1.00  0.00           C  
HETATM   13  C   UNL     1       0.191  -5.184  -0.314  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.720  -4.107   0.272  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.097  -2.727   0.021  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.855  -1.671   0.775  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.298  -1.941   1.866  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.057  -0.442   0.282  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.831   0.484   1.081  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.293   0.032   1.088  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.796  -0.091  -0.352  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.267  -0.416  -0.344  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.199   0.604  -0.350  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.682  -1.735  -0.337  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.030  -2.039  -0.330  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.970  -1.021  -0.331  1.00  0.00           C  
HETATM   27  O   UNL     1      -9.297  -1.318  -0.324  1.00  0.00           O  
HETATM   28  C   UNL     1      -9.652  -2.702  -0.311  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.552   0.307  -0.343  1.00  0.00           C  
HETATM   30  O   UNL     1      -8.471   1.310  -0.343  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.970   2.648  -0.357  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.758   1.891   0.552  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.539   2.492   0.305  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.931   2.593   0.324  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.886   3.884  -0.168  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.669   4.479  -0.432  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.490   3.784  -0.194  1.00  0.00           C  
HETATM   38  O   UNL     1       0.689   4.393  -0.465  1.00  0.00           O  
HETATM   39  C   UNL     1       1.910   3.700  -0.233  1.00  0.00           C  
HETATM   40  C   UNL     1       3.089   4.588  -0.646  1.00  0.00           C  
HETATM   41  O   UNL     1       4.322   3.951  -0.285  1.00  0.00           O  
HETATM   42  C   UNL     1       4.225   2.618  -0.018  1.00  0.00           C  
HETATM   43  C   UNL     1       4.185   2.157   1.295  1.00  0.00           C  
HETATM   44  O   UNL     1       4.347   3.027   2.327  1.00  0.00           O  
HETATM   45  C   UNL     1       4.295   2.484   3.648  1.00  0.00           C  
HETATM   46  C   UNL     1       3.981   0.806   1.549  1.00  0.00           C  
HETATM   47  C   UNL     1       3.840  -0.077   0.500  1.00  0.00           C  
HETATM   48  C   UNL     1       3.985   0.362  -0.804  1.00  0.00           C  
HETATM   49  C   UNL     1       4.177   1.706  -1.068  1.00  0.00           C  
HETATM   50  O   UNL     1       4.318   2.135  -2.351  1.00  0.00           O  
HETATM   51  C   UNL     1       4.259   1.143  -3.378  1.00  0.00           C  
HETATM   52  H   UNL     1       5.522  -3.019   1.749  1.00  0.00           H  
HETATM   53  H   UNL     1       6.195  -1.613   0.890  1.00  0.00           H  
HETATM   54  H   UNL     1       7.616  -3.619   0.564  1.00  0.00           H  
HETATM   55  H   UNL     1       6.224  -4.495  -0.116  1.00  0.00           H  
HETATM   56  H   UNL     1       7.444  -1.937  -1.250  1.00  0.00           H  
HETATM   57  H   UNL     1       7.661  -3.574  -1.914  1.00  0.00           H  
HETATM   58  H   UNL     1       5.887  -2.345  -3.136  1.00  0.00           H  
HETATM   59  H   UNL     1       5.214  -3.751  -2.277  1.00  0.00           H  
HETATM   60  H   UNL     1       5.186  -0.869  -1.271  1.00  0.00           H  
HETATM   61  H   UNL     1       3.793  -1.745  -1.951  1.00  0.00           H  
HETATM   62  H   UNL     1       3.965  -3.427  -0.137  1.00  0.00           H  
HETATM   63  H   UNL     1       3.510  -1.747   1.813  1.00  0.00           H  
HETATM   64  H   UNL     1       2.897  -3.820   1.305  1.00  0.00           H  
HETATM   65  H   UNL     1       1.340  -4.020   2.135  1.00  0.00           H  
HETATM   66  H   UNL     1       2.324  -5.292  -0.411  1.00  0.00           H  
HETATM   67  H   UNL     1       1.613  -6.056   1.023  1.00  0.00           H  
HETATM   68  H   UNL     1       0.320  -4.999  -1.380  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.280  -6.158  -0.177  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.698  -4.157  -0.207  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.831  -4.267   1.344  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.116  -2.515  -1.049  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.454   0.471   2.103  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.371  -0.935   1.584  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.897   0.765   1.622  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.635   0.852  -0.875  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.250  -0.886  -0.860  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.873   1.634  -0.360  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.950  -2.530  -0.337  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.352  -3.070  -0.324  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.247  -3.189  -1.198  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.241  -3.174   0.582  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.738  -2.799  -0.307  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.805   3.349  -0.356  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.354   2.815   0.527  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.368   2.802  -1.253  1.00  0.00           H  
HETATM   87  H   UNL     1       0.377   1.954   0.500  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.884   2.130   0.531  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.803   4.426  -0.345  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.633   5.485  -0.822  1.00  0.00           H  
HETATM   91  H   UNL     1       1.994   3.456   0.826  1.00  0.00           H  
HETATM   92  H   UNL     1       1.924   2.782  -0.820  1.00  0.00           H  
HETATM   93  H   UNL     1       3.064   4.745  -1.725  1.00  0.00           H  
HETATM   94  H   UNL     1       3.014   5.549  -0.138  1.00  0.00           H  
HETATM   95  H   UNL     1       4.438   3.283   4.376  1.00  0.00           H  
HETATM   96  H   UNL     1       3.325   2.014   3.810  1.00  0.00           H  
HETATM   97  H   UNL     1       5.083   1.740   3.766  1.00  0.00           H  
HETATM   98  H   UNL     1       3.933   0.449   2.567  1.00  0.00           H  
HETATM   99  H   UNL     1       3.949  -0.347  -1.619  1.00  0.00           H  
HETATM  100  H   UNL     1       5.054   0.414  -3.225  1.00  0.00           H  
HETATM  101  H   UNL     1       3.292   0.641  -3.342  1.00  0.00           H  
HETATM  102  H   UNL     1       4.385   1.619  -4.350  1.00  0.00           H  
CONECT    1    2    6   52   53                                       
CONECT    2    3    1   54   55                                       
CONECT    3    4    2   56   57                                       
CONECT    4    3    5   58   59                                       
CONECT    5    4    6   60   61                                       
CONECT    6    5    1    7   62                                       
CONECT    7    6   47    8   63                                       
CONECT    8    9    9    7   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   15   11                                            
CONECT   11   10   12   64   65                                       
CONECT   12   11   13   66   67                                       
CONECT   13   14   12   68   69                                       
CONECT   14   15   13   70   71                                       
CONECT   15   16   10   14   72                                       
CONECT   16   17   17   18   15                                       
CONECT   17   16   16                                                 
CONECT   18   16   19                                                 
CONECT   19   20   18   32   73                                       
CONECT   20   21   19   74   75                                       
CONECT   21   22   20   76   77                                       
CONECT   22   23   23   24   21                                       
CONECT   23   29   22   22   78                                       
CONECT   24   25   25   22   79                                       
CONECT   25   26   24   24   80                                       
CONECT   26   27   29   29   25                                       
CONECT   27   28   26                                                 
CONECT   28   27   81   82   83                                       
CONECT   29   30   26   26   23                                       
CONECT   30   31   29                                                 
CONECT   31   30   84   85   86                                       
CONECT   32   19   33   33   34                                       
CONECT   33   32   32   37   87                                       
CONECT   34   32   35   35   88                                       
CONECT   35   34   34   36   89                                       
CONECT   36   37   37   35   90                                       
CONECT   37   33   38   36   36                                       
CONECT   38   39   37                                                 
CONECT   39   40   38   91   92                                       
CONECT   40   41   39   93   94                                       
CONECT   41   42   40                                                 
CONECT   42   43   41   49   49                                       
CONECT   43   44   46   46   42                                       
CONECT   44   45   43                                                 
CONECT   45   44   95   96   97                                       
CONECT   46   43   43   47   98                                       
CONECT   47   46    7   48   48                                       
CONECT   48   47   47   49   99                                       
CONECT   49   42   42   48   50                                       
CONECT   50   49   51                                                 
CONECT   51   50  100  101  102                                       
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   48                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   51                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
