COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      11.952  -0.936   1.723  1.00  0.00           O  
HETATM    2  C   UNL     1      12.247   0.203   1.446  1.00  0.00           C  
HETATM    3  C   UNL     1      11.214   1.127   0.854  1.00  0.00           C  
HETATM    4  N   UNL     1       9.942   0.412   0.716  1.00  0.00           N  
HETATM    5  C   UNL     1       8.751   0.809   1.222  1.00  0.00           C  
HETATM    6  C   UNL     1       7.853  -0.135   0.855  1.00  0.00           C  
HETATM    7  C   UNL     1       6.380  -0.151   1.175  1.00  0.00           C  
HETATM    8  C   UNL     1       5.578  -0.272  -0.122  1.00  0.00           C  
HETATM    9  O   UNL     1       4.182  -0.287   0.182  1.00  0.00           O  
HETATM   10  P   UNL     1       3.040  -0.405  -0.948  1.00  0.00           P  
HETATM   11  O   UNL     1       3.223   0.670  -1.948  1.00  0.00           O  
HETATM   12  O   UNL     1       3.149  -1.838  -1.674  1.00  0.00           O  
HETATM   13  O   UNL     1       1.590  -0.260  -0.263  1.00  0.00           O  
HETATM   14  C   UNL     1       0.559  -0.238  -1.149  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.055  -1.414  -1.534  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.119  -1.390  -2.427  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.570  -0.191  -2.944  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.618  -0.167  -3.811  1.00  0.00           O  
HETATM   19  P   UNL     1      -4.054  -0.019  -3.098  1.00  0.00           P  
HETATM   20  O   UNL     1      -5.217  -0.134  -4.206  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.220  -1.094  -2.095  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.146   1.414  -2.370  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.946   0.983  -2.571  1.00  0.00           C  
HETATM   24  C   UNL     1       0.112   0.961  -1.670  1.00  0.00           C  
HETATM   25  C   UNL     1       0.570   2.410  -1.488  1.00  0.00           C  
HETATM   26  C   UNL     1       0.333   2.945  -2.953  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.173   2.448  -2.952  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.660   3.117  -1.664  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.868   3.670  -1.301  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.013   4.194  -0.036  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.953   4.165   0.863  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.747   3.609   0.501  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.592   3.085  -0.756  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.448   4.825   2.152  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.392   5.929   1.539  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.185   4.868   0.682  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.563   3.878   1.786  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.671   3.095   2.002  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.726   2.279   3.120  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.671   2.253   4.013  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.555   3.043   3.794  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.503   3.852   2.685  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.554  -2.842  -2.637  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.146  -3.549  -2.564  1.00  0.00           C  
HETATM   45  C   UNL     1       0.188  -2.881  -1.174  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.059  -3.293  -0.389  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.261  -3.653   0.925  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.529  -3.990   1.342  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.595  -3.958   0.451  1.00  0.00           C  
HETATM   50  C   UNL     1      -3.394  -3.593  -0.862  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.124  -3.267  -1.282  1.00  0.00           C  
HETATM   52  C   UNL     1      -4.840  -4.380   1.233  1.00  0.00           C  
HETATM   53  C   UNL     1      -4.195  -5.451   2.195  1.00  0.00           C  
HETATM   54  C   UNL     1      -3.095  -4.437   2.693  1.00  0.00           C  
HETATM   55  C   UNL     1      -3.994  -3.275   3.123  1.00  0.00           C  
HETATM   56  C   UNL     1      -3.917  -2.361   4.146  1.00  0.00           C  
HETATM   57  C   UNL     1      -4.908  -1.403   4.284  1.00  0.00           C  
HETATM   58  C   UNL     1      -5.969  -1.368   3.398  1.00  0.00           C  
HETATM   59  C   UNL     1      -6.044  -2.292   2.368  1.00  0.00           C  
HETATM   60  C   UNL     1      -5.060  -3.240   2.232  1.00  0.00           C  
HETATM   61  N   UNL     1       8.530  -1.051   0.153  1.00  0.00           N  
HETATM   62  N   UNL     1       9.765  -0.697   0.089  1.00  0.00           N  
HETATM   63  H   UNL     1      11.078   1.987   1.510  1.00  0.00           H  
HETATM   64  H   UNL     1      11.548   1.466  -0.126  1.00  0.00           H  
HETATM   65  H   UNL     1       8.557   1.699   1.801  1.00  0.00           H  
HETATM   66  H   UNL     1       6.158  -1.001   1.821  1.00  0.00           H  
HETATM   67  H   UNL     1       6.109   0.773   1.685  1.00  0.00           H  
HETATM   68  H   UNL     1       5.800   0.577  -0.767  1.00  0.00           H  
HETATM   69  H   UNL     1       5.849  -1.197  -0.632  1.00  0.00           H  
HETATM   70  H   UNL     1       3.039  -2.591  -1.077  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.111  -0.053  -3.847  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.046   2.167  -2.968  1.00  0.00           H  
HETATM   73  H   UNL     1       1.563   2.556  -1.064  1.00  0.00           H  
HETATM   74  H   UNL     1       0.416   4.030  -3.023  1.00  0.00           H  
HETATM   75  H   UNL     1       0.952   2.436  -3.692  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.753   2.628  -3.857  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.691   3.693  -2.000  1.00  0.00           H  
HETATM   78  H   UNL     1       0.075   3.584   1.200  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.683   5.149   2.859  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.016   6.413   2.290  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.853   6.649   0.923  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.000   5.242   0.063  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.495   3.116   1.304  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.594   1.661   3.295  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.718   1.616   4.884  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.730   3.023   4.491  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.176  -3.042  -3.510  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.223  -4.635  -2.501  1.00  0.00           H  
HETATM   89  H   UNL     1       0.527  -3.229  -3.359  1.00  0.00           H  
HETATM   90  H   UNL     1       1.150  -3.117  -0.718  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.434  -3.670   1.620  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.222  -3.564  -1.554  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.700  -4.699   0.645  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.871  -5.762   2.992  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.774  -6.300   1.657  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.376  -4.807   3.423  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.089  -2.389   4.838  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.852  -0.682   5.086  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.740  -0.621   3.509  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.873  -2.266   1.676  1.00  0.00           H  
HETATM  101  O   UNL     1      13.494   0.646   1.669  1.00  0.00           O  
HETATM  102  H   UNL     1      14.121   0.018   2.053  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1  101                                       
CONECT    3    4    2   63   64                                       
CONECT    4    5   62    3                                            
CONECT    5    6    6    4   65                                       
CONECT    6    7    5    5   61                                       
CONECT    7    8    6   66   67                                       
CONECT    8    9    7   68   69                                       
CONECT    9   10    8                                                 
CONECT   10   11   11   13   12                                       
CONECT   10    9                                                      
CONECT   11   10   10                                                 
CONECT   12   10   70                                                 
CONECT   13   14   10                                                 
CONECT   14   24   13   15   15                                       
CONECT   15   14   14   16   45                                       
CONECT   16   17   17   15   43                                       
CONECT   17   23   18   16   16                                       
CONECT   18   19   17                                                 
CONECT   19   21   21   22   20                                       
CONECT   19   18                                                      
CONECT   20   19   71                                                 
CONECT   21   19   19                                                 
CONECT   22   19   72                                                 
CONECT   23   27   24   24   17                                       
CONECT   24   25   23   23   14                                       
CONECT   25   33   26   24   73                                       
CONECT   26   27   25   74   75                                       
CONECT   27   28   26   23   76                                       
CONECT   28   29   33   33   27                                       
CONECT   29   30   30   28   77                                       
CONECT   30   36   29   29   31                                       
CONECT   31   34   30   32   32                                       
CONECT   32   31   31   33   78                                       
CONECT   33   28   28   32   25                                       
CONECT   34   35   42   31   79                                       
CONECT   35   36   34   80   81                                       
CONECT   36   35   37   30   82                                       
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39   83                                       
CONECT   39   38   40   40   84                                       
CONECT   40   39   39   41   85                                       
CONECT   41   42   42   40   86                                       
CONECT   42   34   37   41   41                                       
CONECT   43   16   51   44   87                                       
CONECT   44   43   45   88   89                                       
CONECT   45   15   46   44   90                                       
CONECT   46   51   45   47   47                                       
CONECT   47   46   46   48   91                                       
CONECT   48   49   49   47   54                                       
CONECT   49   50   52   48   48                                       
CONECT   50   51   51   49   92                                       
CONECT   51   43   50   50   46                                       
CONECT   52   60   49   53   93                                       
CONECT   53   52   54   94   95                                       
CONECT   54   55   48   53   96                                       
CONECT   55   56   56   60   54                                       
CONECT   56   57   55   55   97                                       
CONECT   57   58   58   56   98                                       
CONECT   58   57   57   59   99                                       
CONECT   59   58   60   60  100                                       
CONECT   60   59   59   55   52                                       
CONECT   61    6   62   62                                            
CONECT   62   61   61    4                                            
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    5                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70   12                                                      
CONECT   71   20                                                      
CONECT   72   22                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   47                                                      
CONECT   92   50                                                      
CONECT   93   52                                                      
CONECT   94   53                                                      
CONECT   95   53                                                      
CONECT   96   54                                                      
CONECT   97   56                                                      
CONECT   98   57                                                      
CONECT   99   58                                                      
CONECT  100   59                                                      
CONECT  101    2  102                                                 
CONECT  102  101                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
