COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.094   1.853   1.759  1.00  0.00           O  
HETATM    2  O   UNL     1       7.423  -1.922   3.331  1.00  0.00           O  
HETATM    3  C   UNL     1       8.333   0.919   1.629  1.00  0.00           C  
HETATM    4  N   UNL     1       8.318  -0.062   2.549  1.00  0.00           N  
HETATM    5  C   UNL     1       7.515  -1.130   2.412  1.00  0.00           C  
HETATM    6  N   UNL     1       6.815  -1.348   1.293  1.00  0.00           N  
HETATM    7  C   UNL     1       6.784  -0.486   0.311  1.00  0.00           C  
HETATM    8  C   UNL     1       7.409   0.869   0.444  1.00  0.00           C  
HETATM    9  C   UNL     1       6.318   1.945   0.619  1.00  0.00           C  
HETATM   10  C   UNL     1       6.100   2.239   2.081  1.00  0.00           C  
HETATM   11  C   UNL     1       6.946   3.106   2.746  1.00  0.00           C  
HETATM   12  C   UNL     1       6.746   3.375   4.087  1.00  0.00           C  
HETATM   13  C   UNL     1       5.699   2.777   4.763  1.00  0.00           C  
HETATM   14  C   UNL     1       4.852   1.910   4.098  1.00  0.00           C  
HETATM   15  C   UNL     1       5.049   1.646   2.756  1.00  0.00           C  
HETATM   16  C   UNL     1       6.883   3.189  -0.102  1.00  0.00           C  
HETATM   17  C   UNL     1       8.254   2.741  -0.656  1.00  0.00           C  
HETATM   18  O   UNL     1       9.297   3.075   0.261  1.00  0.00           O  
HETATM   19  N   UNL     1       8.127   1.258  -0.786  1.00  0.00           N  
HETATM   20  C   UNL     1       7.367   0.998  -1.935  1.00  0.00           C  
HETATM   21  C   UNL     1       7.594   1.773  -3.068  1.00  0.00           C  
HETATM   22  C   UNL     1       6.867   1.548  -4.220  1.00  0.00           C  
HETATM   23  C   UNL     1       7.119   2.393  -5.443  1.00  0.00           C  
HETATM   24  C   UNL     1       5.910   0.551  -4.258  1.00  0.00           C  
HETATM   25  C   UNL     1       5.122   0.310  -5.519  1.00  0.00           C  
HETATM   26  C   UNL     1       5.677  -0.226  -3.138  1.00  0.00           C  
HETATM   27  C   UNL     1       6.402  -0.004  -1.975  1.00  0.00           C  
HETATM   28  N   UNL     1       6.155  -0.805  -0.847  1.00  0.00           N  
HETATM   29  C   UNL     1       5.245  -1.951  -0.919  1.00  0.00           C  
HETATM   30  C   UNL     1       3.825  -1.497  -0.578  1.00  0.00           C  
HETATM   31  O   UNL     1       3.802  -0.953   0.743  1.00  0.00           O  
HETATM   32  C   UNL     1       2.875  -2.694  -0.654  1.00  0.00           C  
HETATM   33  O   UNL     1       2.897  -3.238  -1.975  1.00  0.00           O  
HETATM   34  C   UNL     1       1.454  -2.240  -0.313  1.00  0.00           C  
HETATM   35  O   UNL     1       1.431  -1.696   1.008  1.00  0.00           O  
HETATM   36  C   UNL     1       0.504  -3.437  -0.388  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.839  -2.992  -0.185  1.00  0.00           O  
HETATM   38  P   UNL     1      -2.104  -3.989  -0.199  1.00  0.00           P  
HETATM   39  O   UNL     1      -2.119  -4.749  -1.468  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.994  -5.012   1.039  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.462  -3.134  -0.069  1.00  0.00           O  
HETATM   42  P   UNL     1      -5.018  -3.462  -0.319  1.00  0.00           P  
HETATM   43  O   UNL     1      -5.308  -3.513  -1.902  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.350  -4.772   0.285  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.924  -2.315   0.356  1.00  0.00           O  
HETATM   46  C   UNL     1      -7.351  -2.373   0.398  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.892  -1.130   1.106  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.687   0.043   0.290  1.00  0.00           O  
HETATM   49  C   UNL     1      -9.424  -1.231   1.274  1.00  0.00           C  
HETATM   50  O   UNL     1      -9.755  -1.681   2.590  1.00  0.00           O  
HETATM   51  C   UNL     1      -9.922   0.215   1.056  1.00  0.00           C  
HETATM   52  O   UNL     1     -10.576   0.702   2.229  1.00  0.00           O  
HETATM   53  C   UNL     1      -8.632   1.019   0.782  1.00  0.00           C  
HETATM   54  N   UNL     1      -8.877   2.047  -0.233  1.00  0.00           N  
HETATM   55  C   UNL     1      -8.703   1.911  -1.578  1.00  0.00           C  
HETATM   56  N   UNL     1      -9.015   3.022  -2.181  1.00  0.00           N  
HETATM   57  C   UNL     1      -9.408   3.938  -1.264  1.00  0.00           C  
HETATM   58  C   UNL     1      -9.330   3.322  -0.003  1.00  0.00           C  
HETATM   59  N   UNL     1      -9.667   4.018   1.078  1.00  0.00           N  
HETATM   60  C   UNL     1     -10.068   5.267   0.973  1.00  0.00           C  
HETATM   61  N   UNL     1     -10.158   5.888  -0.189  1.00  0.00           N  
HETATM   62  C   UNL     1      -9.846   5.272  -1.324  1.00  0.00           C  
HETATM   63  N   UNL     1      -9.943   5.931  -2.537  1.00  0.00           N  
HETATM   64  H   UNL     1       8.897   0.003   3.324  1.00  0.00           H  
HETATM   65  H   UNL     1       5.388   1.624   0.152  1.00  0.00           H  
HETATM   66  H   UNL     1       7.765   3.573   2.218  1.00  0.00           H  
HETATM   67  H   UNL     1       7.408   4.052   4.607  1.00  0.00           H  
HETATM   68  H   UNL     1       5.543   2.987   5.811  1.00  0.00           H  
HETATM   69  H   UNL     1       4.034   1.443   4.627  1.00  0.00           H  
HETATM   70  H   UNL     1       4.387   0.969   2.236  1.00  0.00           H  
HETATM   71  H   UNL     1       6.223   3.486  -0.917  1.00  0.00           H  
HETATM   72  H   UNL     1       7.009   4.011   0.603  1.00  0.00           H  
HETATM   73  H   UNL     1       8.440   3.197  -1.628  1.00  0.00           H  
HETATM   74  H   UNL     1       9.385   4.023   0.429  1.00  0.00           H  
HETATM   75  H   UNL     1       8.340   2.553  -3.045  1.00  0.00           H  
HETATM   76  H   UNL     1       7.890   1.926  -6.055  1.00  0.00           H  
HETATM   77  H   UNL     1       6.198   2.478  -6.021  1.00  0.00           H  
HETATM   78  H   UNL     1       7.449   3.385  -5.137  1.00  0.00           H  
HETATM   79  H   UNL     1       5.643  -0.419  -6.140  1.00  0.00           H  
HETATM   80  H   UNL     1       4.134  -0.072  -5.263  1.00  0.00           H  
HETATM   81  H   UNL     1       5.018   1.246  -6.067  1.00  0.00           H  
HETATM   82  H   UNL     1       4.930  -1.005  -3.168  1.00  0.00           H  
HETATM   83  H   UNL     1       5.262  -2.366  -1.927  1.00  0.00           H  
HETATM   84  H   UNL     1       5.563  -2.713  -0.207  1.00  0.00           H  
HETATM   85  H   UNL     1       3.506  -0.735  -1.290  1.00  0.00           H  
HETATM   86  H   UNL     1       4.074  -1.577   1.430  1.00  0.00           H  
HETATM   87  H   UNL     1       3.193  -3.455   0.058  1.00  0.00           H  
HETATM   88  H   UNL     1       2.625  -2.614  -2.662  1.00  0.00           H  
HETATM   89  H   UNL     1       1.135  -1.478  -1.025  1.00  0.00           H  
HETATM   90  H   UNL     1       1.704  -2.319   1.695  1.00  0.00           H  
HETATM   91  H   UNL     1       0.587  -3.905  -1.369  1.00  0.00           H  
HETATM   92  H   UNL     1       0.768  -4.159   0.384  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.979  -4.582   1.905  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.113  -2.686  -2.364  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.743  -2.412  -0.619  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.662  -3.266   0.941  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.411  -1.008   2.077  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.848  -1.898   0.524  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.706  -1.763   2.750  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.594   0.262   0.198  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.360   0.196   2.482  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.264   1.474   1.701  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.357   1.015  -2.070  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.332   5.805   1.872  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.242   6.853  -2.565  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.713   5.470  -3.359  1.00  0.00           H  
CONECT    1    3    3                                                 
CONECT    2    5    5                                                 
CONECT    3    4    8    1    1                                       
CONECT    4    5    3   64                                            
CONECT    5    2    2    6    4                                       
CONECT    6    5    7    7                                            
CONECT    7    6    6   28    8                                       
CONECT    8    7    3    9   19                                       
CONECT    9   10    8   16   65                                       
CONECT   10   15   15   11    9                                       
CONECT   11   12   12   10   66                                       
CONECT   12   13   11   11   67                                       
CONECT   13   14   14   12   68                                       
CONECT   14   13   13   15   69                                       
CONECT   15   14   10   10   70                                       
CONECT   16    9   17   71   72                                       
CONECT   17   19   16   18   73                                       
CONECT   18   17   74                                                 
CONECT   19    8   20   17                                            
CONECT   20   27   19   21   21                                       
CONECT   21   20   20   22   75                                       
CONECT   22   24   24   21   23                                       
CONECT   23   22   76   77   78                                       
CONECT   24   26   25   22   22                                       
CONECT   25   24   79   80   81                                       
CONECT   26   27   27   24   82                                       
CONECT   27   28   26   26   20                                       
CONECT   28   29    7   27                                            
CONECT   29   30   28   83   84                                       
CONECT   30   32   31   29   85                                       
CONECT   31   30   86                                                 
CONECT   32   34   33   30   87                                       
CONECT   33   32   88                                                 
CONECT   34   36   35   32   89                                       
CONECT   35   34   90                                                 
CONECT   36   37   34   91   92                                       
CONECT   37   38   36                                                 
CONECT   38   39   39   40   37                                       
CONECT   38   41                                                      
CONECT   39   38   38                                                 
CONECT   40   38   93                                                 
CONECT   41   38   42                                                 
CONECT   42   45   41   44   44                                       
CONECT   42   43                                                      
CONECT   43   42   94                                                 
CONECT   44   42   42                                                 
CONECT   45   46   42                                                 
CONECT   46   45   47   95   96                                       
CONECT   47   48   46   49   97                                       
CONECT   48   47   53                                                 
CONECT   49   47   50   51   98                                       
CONECT   50   49   99                                                 
CONECT   51   53   49   52  100                                       
CONECT   52   51  101                                                 
CONECT   53   48   54   51  102                                       
CONECT   54   58   53   55                                            
CONECT   55   54   56   56  103                                       
CONECT   56   57   55   55                                            
CONECT   57   62   62   58   56                                       
CONECT   58   59   59   57   54                                       
CONECT   59   60   58   58                                            
CONECT   60   61   61   59  104                                       
CONECT   61   60   60   62                                            
CONECT   62   61   63   57   57                                       
CONECT   63   62  105  106                                            
CONECT   64    4                                                      
CONECT   65    9                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   40                                                      
CONECT   94   43                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   49                                                      
CONECT   99   50                                                      
CONECT  100   51                                                      
CONECT  101   52                                                      
CONECT  102   53                                                      
CONECT  103   55                                                      
CONECT  104   60                                                      
CONECT  105   63                                                      
CONECT  106   63                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
