COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.076   4.658   2.211  1.00  0.00           C  
HETATM    2  C   UNL     1     -13.470   3.468   1.335  1.00  0.00           C  
HETATM    3  C   UNL     1     -13.008   3.710  -0.079  1.00  0.00           C  
HETATM    4  C   UNL     1     -12.296   2.802  -0.699  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.070   1.455  -0.061  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.484   0.369  -1.020  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.657  -0.608  -1.299  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.356  -0.732  -0.550  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.241  -2.118   0.031  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.175  -2.841  -0.207  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.992  -2.230  -0.912  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.728  -2.463  -0.082  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.526  -1.843  -0.797  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.262  -2.075   0.033  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.061  -1.455  -0.683  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.797  -1.688   0.148  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.595  -1.067  -0.568  1.00  0.00           C  
HETATM   18  C   UNL     1       0.650  -1.297   0.250  1.00  0.00           C  
HETATM   19  C   UNL     1       2.990  -1.094   0.653  1.00  0.00           C  
HETATM   20  C   UNL     1       4.238  -0.498  -0.002  1.00  0.00           C  
HETATM   21  C   UNL     1       5.473  -0.876   0.817  1.00  0.00           C  
HETATM   22  C   UNL     1      10.593   0.181   0.083  1.00  0.00           C  
HETATM   23  C   UNL     1      11.314   0.963  -1.017  1.00  0.00           C  
HETATM   24  C   UNL     1      11.330   2.964   0.307  1.00  0.00           C  
HETATM   25  C   UNL     1      11.519   3.103  -2.081  1.00  0.00           C  
HETATM   26  C   UNL     1       9.438   2.457  -1.078  1.00  0.00           C  
HETATM   27  N   UNL     1      10.900   2.372  -0.967  1.00  0.00           N1+
HETATM   28  O   UNL     1       0.583  -1.895   1.297  1.00  0.00           O  
HETATM   29  O   UNL     1       1.833  -0.836  -0.186  1.00  0.00           O  
HETATM   30  O   UNL     1       6.649  -0.421   0.145  1.00  0.00           O  
HETATM   31  O   UNL     1       8.217  -0.098   2.095  1.00  0.00           O  
HETATM   32  O   UNL     1       8.464  -2.222   0.754  1.00  0.00           O  
HETATM   33  O   UNL     1       9.198   0.106  -0.221  1.00  0.00           O  
HETATM   34  O   UNL     1       4.116   0.924  -0.053  1.00  0.00           O  
HETATM   35  P   UNL     1       8.134  -0.647   0.723  1.00  0.00           P  
HETATM   36  H   UNL     1     -13.543   5.564   1.826  1.00  0.00           H  
HETATM   37  H   UNL     1     -13.410   4.483   3.234  1.00  0.00           H  
HETATM   38  H   UNL     1     -11.992   4.775   2.199  1.00  0.00           H  
HETATM   39  H   UNL     1     -13.003   2.562   1.720  1.00  0.00           H  
HETATM   40  H   UNL     1     -14.554   3.351   1.347  1.00  0.00           H  
HETATM   41  H   UNL     1     -13.263   4.632  -0.580  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.871   3.018  -1.668  1.00  0.00           H  
HETATM   43  H   UNL     1     -11.014   1.341   0.183  1.00  0.00           H  
HETATM   44  H   UNL     1     -12.663   1.381   0.850  1.00  0.00           H  
HETATM   45  H   UNL     1     -13.462   0.396  -1.476  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.908  -1.324  -2.068  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.525  -0.554  -1.232  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.329   0.003   0.255  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.037  -2.514   0.644  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.145  -3.876   0.102  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.873  -2.693  -1.891  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.155  -1.159  -1.034  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.846  -2.000   0.898  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.565  -3.534   0.040  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.408  -2.306  -1.777  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.689  -0.772  -0.919  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.381  -1.612   1.013  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.100  -3.146   0.155  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.942  -1.918  -1.662  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.223  -0.384  -0.804  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.915  -1.225   1.127  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.634  -2.759   0.269  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.477  -1.531  -1.548  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.758   0.004  -0.690  1.00  0.00           H  
HETATM   65  H   UNL     1       3.120  -2.169   0.773  1.00  0.00           H  
HETATM   66  H   UNL     1       2.839  -0.635   1.631  1.00  0.00           H  
HETATM   67  H   UNL     1       4.339  -0.891  -1.014  1.00  0.00           H  
HETATM   68  H   UNL     1       5.414  -0.410   1.801  1.00  0.00           H  
HETATM   69  H   UNL     1       5.517  -1.959   0.931  1.00  0.00           H  
HETATM   70  H   UNL     1      11.006  -0.826   0.144  1.00  0.00           H  
HETATM   71  H   UNL     1      10.729   0.688   1.038  1.00  0.00           H  
HETATM   72  H   UNL     1      12.391   0.895  -0.865  1.00  0.00           H  
HETATM   73  H   UNL     1      11.057   0.543  -1.989  1.00  0.00           H  
HETATM   74  H   UNL     1      12.415   2.900   0.389  1.00  0.00           H  
HETATM   75  H   UNL     1      11.023   4.009   0.343  1.00  0.00           H  
HETATM   76  H   UNL     1      10.871   2.421   1.133  1.00  0.00           H  
HETATM   77  H   UNL     1      11.200   2.664  -3.026  1.00  0.00           H  
HETATM   78  H   UNL     1      11.213   4.148  -2.044  1.00  0.00           H  
HETATM   79  H   UNL     1      12.604   3.040  -1.998  1.00  0.00           H  
HETATM   80  H   UNL     1       8.982   2.090  -0.159  1.00  0.00           H  
HETATM   81  H   UNL     1       9.146   3.495  -1.240  1.00  0.00           H  
HETATM   82  H   UNL     1       9.101   1.850  -1.919  1.00  0.00           H  
HETATM   83  H   UNL     1       8.427  -2.649  -0.113  1.00  0.00           H  
HETATM   84  H   UNL     1       4.023   1.342   0.814  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3   39   40                                       
CONECT    3    2    4    4   41                                       
CONECT    4    3    3    5   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    7    7   45                                       
CONECT    7    6    6    8   46                                       
CONECT    8    7    9   47   48                                       
CONECT    9    8   10   10   49                                       
CONECT   10    9    9   11   50                                       
CONECT   11   10   12   51   52                                       
CONECT   12   11   13   53   54                                       
CONECT   13   12   14   55   56                                       
CONECT   14   13   15   57   58                                       
CONECT   15   14   16   59   60                                       
CONECT   16   17   15   61   62                                       
CONECT   17   16   18   63   64                                       
CONECT   18   28   28   17   29                                       
CONECT   19   29   20   65   66                                       
CONECT   20   34   19   21   67                                       
CONECT   21   20   30   68   69                                       
CONECT   22   33   23   70   71                                       
CONECT   23   22   27   72   73                                       
CONECT   24   27   74   75   76                                       
CONECT   25   27   77   78   79                                       
CONECT   26   27   80   81   82                                       
CONECT   27   23   24   25   26                                       
CONECT   28   18   18                                                 
CONECT   29   18   19                                                 
CONECT   30   35   21                                                 
CONECT   31   35   35                                                 
CONECT   32   35   83                                                 
CONECT   33   35   22                                                 
CONECT   34   20   84                                                 
CONECT   35   31   31   32   30                                       
CONECT   35   33                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   32                                                      
CONECT   84   34                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
