COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      10.012  -0.066   0.216  1.00  0.00           O  
HETATM    2  C   UNL     1       9.454   1.005   0.068  1.00  0.00           C  
HETATM    3  N   UNL     1      10.115   2.151   0.328  1.00  0.00           N  
HETATM    4  C   UNL     1      11.505   2.107   0.788  1.00  0.00           C  
HETATM    5  C   UNL     1      12.015   3.532   1.008  1.00  0.00           C  
HETATM    6  N   UNL     1      13.409   3.488   1.469  1.00  0.00           N  
HETATM    7  C   UNL     1      14.234   3.186   0.292  1.00  0.00           C  
HETATM    8  C   UNL     1      13.757   4.852   1.890  1.00  0.00           C  
HETATM    9  C   UNL     1       8.057   1.049  -0.394  1.00  0.00           C  
HETATM   10  C   UNL     1       7.407   2.264  -0.567  1.00  0.00           C  
HETATM   11  C   UNL     1       6.091   2.308  -1.002  1.00  0.00           C  
HETATM   12  C   UNL     1       7.328  -0.188  -0.686  1.00  0.00           C  
HETATM   13  C   UNL     1       5.980  -0.090  -1.123  1.00  0.00           C  
HETATM   14  C   UNL     1       5.388   1.173  -1.275  1.00  0.00           C  
HETATM   15  N   UNL     1       7.910  -1.369  -0.527  1.00  0.00           N  
HETATM   16  C   UNL     1       7.267  -2.511  -0.780  1.00  0.00           C  
HETATM   17  C   UNL     1       7.917  -3.748  -0.607  1.00  0.00           C  
HETATM   18  C   UNL     1       7.252  -4.905  -0.867  1.00  0.00           C  
HETATM   19  C   UNL     1       5.928  -4.891  -1.306  1.00  0.00           C  
HETATM   20  C   UNL     1       5.920  -2.501  -1.226  1.00  0.00           C  
HETATM   21  C   UNL     1       5.265  -3.716  -1.485  1.00  0.00           C  
HETATM   22  C   UNL     1       5.258  -1.268  -1.403  1.00  0.00           C  
HETATM   23  N   UNL     1       3.952  -1.218  -1.835  1.00  0.00           N  
HETATM   24  C   UNL     1       3.116  -1.084  -0.635  1.00  0.00           C  
HETATM   25  C   UNL     1       1.639  -1.150  -1.032  1.00  0.00           C  
HETATM   26  C   UNL     1       0.768  -1.011   0.218  1.00  0.00           C  
HETATM   27  O   UNL     1     -10.048  -0.149  -0.087  1.00  0.00           O  
HETATM   28  C   UNL     1      -9.562   0.958   0.046  1.00  0.00           C  
HETATM   29  N   UNL     1     -10.303   2.054  -0.209  1.00  0.00           N  
HETATM   30  C   UNL     1     -11.694   1.912  -0.647  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.303   3.298  -0.867  1.00  0.00           C  
HETATM   32  N   UNL     1     -13.698   3.156  -1.306  1.00  0.00           N  
HETATM   33  C   UNL     1     -14.293   4.498  -1.263  1.00  0.00           C  
HETATM   34  C   UNL     1     -13.657   2.757  -2.719  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.164   1.100   0.486  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.596   2.358   0.642  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.279   2.495   1.056  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.346  -0.083   0.768  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.005   0.111   1.193  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.497   1.412   1.324  1.00  0.00           C  
HETATM   41  N   UNL     1      -7.849  -1.302   0.631  1.00  0.00           N  
HETATM   42  C   UNL     1      -7.126  -2.395   0.881  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.692  -3.676   0.726  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.944  -4.782   0.984  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.618  -4.674   1.400  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.776  -2.289   1.306  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.035  -3.455   1.562  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.198  -1.013   1.464  1.00  0.00           C  
HETATM   49  N   UNL     1      -3.892  -0.870   1.874  1.00  0.00           N  
HETATM   50  C   UNL     1      -3.055  -1.003   0.674  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.579  -0.937   1.071  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.708  -1.077  -0.179  1.00  0.00           C  
HETATM   53  H   UNL     1       9.670   3.004   0.210  1.00  0.00           H  
HETATM   54  H   UNL     1      12.121   1.612   0.037  1.00  0.00           H  
HETATM   55  H   UNL     1      11.560   1.553   1.725  1.00  0.00           H  
HETATM   56  H   UNL     1      11.399   4.027   1.759  1.00  0.00           H  
HETATM   57  H   UNL     1      11.960   4.086   0.071  1.00  0.00           H  
HETATM   58  H   UNL     1      14.010   2.179  -0.060  1.00  0.00           H  
HETATM   59  H   UNL     1      14.015   3.904  -0.499  1.00  0.00           H  
HETATM   60  H   UNL     1      15.288   3.252   0.560  1.00  0.00           H  
HETATM   61  H   UNL     1      13.650   5.532   1.046  1.00  0.00           H  
HETATM   62  H   UNL     1      13.092   5.164   2.695  1.00  0.00           H  
HETATM   63  H   UNL     1      14.789   4.870   2.243  1.00  0.00           H  
HETATM   64  H   UNL     1       7.932   3.185  -0.360  1.00  0.00           H  
HETATM   65  H   UNL     1       5.610   3.267  -1.128  1.00  0.00           H  
HETATM   66  H   UNL     1       4.365   1.246  -1.612  1.00  0.00           H  
HETATM   67  H   UNL     1       8.942  -3.778  -0.268  1.00  0.00           H  
HETATM   68  H   UNL     1       7.756  -5.850  -0.732  1.00  0.00           H  
HETATM   69  H   UNL     1       5.423  -5.825  -1.505  1.00  0.00           H  
HETATM   70  H   UNL     1       4.240  -3.719  -1.825  1.00  0.00           H  
HETATM   71  H   UNL     1       3.852  -0.359  -2.355  1.00  0.00           H  
HETATM   72  H   UNL     1       3.342  -1.895   0.058  1.00  0.00           H  
HETATM   73  H   UNL     1       3.320  -0.127  -0.154  1.00  0.00           H  
HETATM   74  H   UNL     1       1.413  -0.339  -1.724  1.00  0.00           H  
HETATM   75  H   UNL     1       1.435  -2.106  -1.513  1.00  0.00           H  
HETATM   76  H   UNL     1       0.995  -1.821   0.911  1.00  0.00           H  
HETATM   77  H   UNL     1       0.973  -0.054   0.699  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.916   2.937  -0.103  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.725   1.350  -1.580  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.263   1.382   0.116  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.272   3.861   0.066  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.734   3.829  -1.630  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.742   5.161  -1.930  1.00  0.00           H  
HETATM   84  H   UNL     1     -15.334   4.445  -1.582  1.00  0.00           H  
HETATM   85  H   UNL     1     -14.245   4.885  -0.245  1.00  0.00           H  
HETATM   86  H   UNL     1     -14.674   2.638  -3.093  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.144   3.525  -3.299  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.122   1.812  -2.814  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.186   3.240   0.438  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.863   3.485   1.169  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.476   1.558   1.644  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.717  -3.779   0.403  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.384  -5.761   0.863  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.046  -5.569   1.597  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.007  -3.383   1.885  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.684  -1.663   2.462  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.281  -0.193  -0.019  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.260  -1.960   0.193  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.353  -1.748   1.764  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.374   0.019   1.552  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.934  -0.266  -0.872  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.912  -2.033  -0.660  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    9                                       
CONECT    3    2    4   53                                            
CONECT    4    3    5   54   55                                       
CONECT    5    4    6   56   57                                       
CONECT    6    5    7    8                                            
CONECT    7    6   58   59   60                                       
CONECT    8    6   61   62   63                                       
CONECT    9    2   10   10   12                                       
CONECT   10    9    9   11   64                                       
CONECT   11   10   14   14   65                                       
CONECT   12    9   13   15   15                                       
CONECT   13   12   14   22   22                                       
CONECT   14   11   11   13   66                                       
CONECT   15   12   12   16                                            
CONECT   16   15   17   17   20                                       
CONECT   17   16   16   18   67                                       
CONECT   18   17   19   19   68                                       
CONECT   19   18   18   21   69                                       
CONECT   20   16   21   21   22                                       
CONECT   21   19   20   20   70                                       
CONECT   22   13   13   20   23                                       
CONECT   23   22   24   71                                            
CONECT   24   23   25   72   73                                       
CONECT   25   24   26   74   75                                       
CONECT   26   25   52   76   77                                       
CONECT   27   28   28                                                 
CONECT   28   27   27   29   35                                       
CONECT   29   28   30   78                                            
CONECT   30   29   31   79   80                                       
CONECT   31   30   32   81   82                                       
CONECT   32   31   33   34                                            
CONECT   33   32   83   84   85                                       
CONECT   34   32   86   87   88                                       
CONECT   35   28   36   38   38                                       
CONECT   36   35   37   37   89                                       
CONECT   37   36   36   40   90                                       
CONECT   38   35   35   39   41                                       
CONECT   39   38   40   40   48                                       
CONECT   40   37   39   39   91                                       
CONECT   41   38   42   42                                            
CONECT   42   41   41   43   46                                       
CONECT   43   42   44   44   92                                       
CONECT   44   43   43   45   93                                       
CONECT   45   44   47   47   94                                       
CONECT   46   42   47   48   48                                       
CONECT   47   45   45   46   95                                       
CONECT   48   39   46   46   49                                       
CONECT   49   48   50   96                                            
CONECT   50   49   51   97   98                                       
CONECT   51   50   52   99  100                                       
CONECT   52   26   51  101  102                                       
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   14                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   40                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   47                                                      
CONECT   96   49                                                      
CONECT   97   50                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   51                                                      
CONECT  101   52                                                      
CONECT  102   52                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
