COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.179   3.925  -2.349  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.605   2.732  -2.099  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.685   2.343  -2.792  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.093   1.896  -0.982  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.152   2.332  -0.176  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.572   1.512   0.856  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.708   1.936   1.751  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.031   1.440   1.165  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.184   1.871   2.074  1.00  0.00           C  
HETATM   10  O   UNL     1     -11.063   1.217   3.339  1.00  0.00           O  
HETATM   11  C   UNL     1     -12.496   1.491   1.436  1.00  0.00           C  
HETATM   12  O   UNL     1     -12.872   2.065   0.283  1.00  0.00           O  
HETATM   13  O   UNL     1     -13.208   0.669   1.963  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.938   0.299   1.057  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.942  -0.086   0.282  1.00  0.00           N1+
HETATM   16  C   UNL     1      -5.511   0.656  -0.717  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.302  -1.380   0.536  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.881  -1.293   0.295  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.447  -2.654   0.084  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.114  -2.678  -0.665  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.091  -2.121   0.163  1.00  0.00           O  
HETATM   22  P   UNL     1       0.277  -2.178  -0.684  1.00  0.00           P  
HETATM   23  O   UNL     1       0.683  -3.713  -0.945  1.00  0.00           O  
HETATM   24  O   UNL     1       0.083  -1.491  -1.980  1.00  0.00           O  
HETATM   25  O   UNL     1       1.449  -1.445   0.141  1.00  0.00           O  
HETATM   26  P   UNL     1       2.597  -1.062  -0.921  1.00  0.00           P  
HETATM   27  O   UNL     1       3.378  -2.335  -1.316  1.00  0.00           O1-
HETATM   28  O   UNL     1       1.948  -0.446  -2.181  1.00  0.00           O  
HETATM   29  O   UNL     1       3.606   0.004  -0.261  1.00  0.00           O  
HETATM   30  C   UNL     1       4.525   0.391  -1.284  1.00  0.00           C  
HETATM   31  C   UNL     1       5.518   1.410  -0.719  1.00  0.00           C  
HETATM   32  O   UNL     1       6.352   0.782   0.269  1.00  0.00           O  
HETATM   33  C   UNL     1       7.654   1.398   0.174  1.00  0.00           C  
HETATM   34  C   UNL     1       7.866   1.560  -1.353  1.00  0.00           C  
HETATM   35  O   UNL     1       8.784   2.620  -1.631  1.00  0.00           O  
HETATM   36  C   UNL     1       6.440   1.922  -1.843  1.00  0.00           C  
HETATM   37  O   UNL     1       6.308   3.336  -2.001  1.00  0.00           O  
HETATM   38  N   UNL     1       8.681   0.526   0.751  1.00  0.00           N  
HETATM   39  C   UNL     1       8.601  -0.827   0.896  1.00  0.00           C  
HETATM   40  N   UNL     1       9.690  -1.280   1.445  1.00  0.00           N  
HETATM   41  C   UNL     1      10.536  -0.250   1.685  1.00  0.00           C  
HETATM   42  C   UNL     1      11.820  -0.136   2.244  1.00  0.00           C  
HETATM   43  N   UNL     1      12.498  -1.254   2.697  1.00  0.00           N  
HETATM   44  N   UNL     1      12.370   1.072   2.328  1.00  0.00           N  
HETATM   45  C   UNL     1      11.731   2.145   1.898  1.00  0.00           C  
HETATM   46  N   UNL     1      10.528   2.085   1.367  1.00  0.00           N  
HETATM   47  C   UNL     1       9.901   0.921   1.238  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.561  -3.295  -0.774  1.00  0.00           C  
HETATM   49  O   UNL     1      -4.775  -4.652  -0.383  1.00  0.00           O  
HETATM   50  C   UNL     1      -5.811  -2.438  -0.468  1.00  0.00           C  
HETATM   51  O   UNL     1      -6.838  -3.241   0.118  1.00  0.00           O  
HETATM   52  H   UNL     1      -5.858   4.474  -3.082  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.915   4.234  -1.798  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.629   3.284  -0.356  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.567   1.508   2.744  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.727   3.023   1.824  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.172   1.869   0.173  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.012   0.353   1.092  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.150   2.951   2.218  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.098   0.266   3.167  1.00  0.00           H  
HETATM   61  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.264  -0.343   1.862  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.693   0.306  -1.329  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.495  -1.703   1.559  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.355  -3.175   1.037  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.857  -3.707  -0.918  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.200  -2.091  -1.580  1.00  0.00           H  
HETATM   68  H   UNL     1       0.800  -4.123  -0.077  1.00  0.00           H  
HETATM   69  H   UNL     1       5.067  -0.486  -1.637  1.00  0.00           H  
HETATM   70  H   UNL     1       3.978   0.839  -2.114  1.00  0.00           H  
HETATM   71  H   UNL     1       4.978   2.245  -0.273  1.00  0.00           H  
HETATM   72  H   UNL     1       7.657   2.370   0.667  1.00  0.00           H  
HETATM   73  H   UNL     1       8.207   0.626  -1.800  1.00  0.00           H  
HETATM   74  H   UNL     1       8.872   2.668  -2.593  1.00  0.00           H  
HETATM   75  H   UNL     1       6.217   1.412  -2.780  1.00  0.00           H  
HETATM   76  H   UNL     1       6.951   3.603  -2.672  1.00  0.00           H  
HETATM   77  H   UNL     1       7.757  -1.433   0.600  1.00  0.00           H  
HETATM   78  H   UNL     1      12.086  -2.130   2.631  1.00  0.00           H  
HETATM   79  H   UNL     1      13.384  -1.163   3.081  1.00  0.00           H  
HETATM   80  H   UNL     1      12.214   3.107   1.985  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.307  -3.238  -1.833  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.478  -4.999  -0.951  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.176  -1.957  -1.376  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.069  -3.918  -0.532  1.00  0.00           H  
CONECT    1    2   52   53                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5   16                                       
CONECT    5    4    4    6   54                                       
CONECT    6    5    7   14   14                                       
CONECT    7    6    8   55   56                                       
CONECT    8    7    9   57   58                                       
CONECT    9    8   10   11   59                                       
CONECT   10    9   60                                                 
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   61                                                 
CONECT   14    6    6   15   62                                       
CONECT   15   14   16   16   17                                       
CONECT   16    4   15   15   63                                       
CONECT   17   15   18   50   64                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   48   65                                       
CONECT   20   19   21   66   67                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   24   24                                       
CONECT   22   25                                                      
CONECT   23   22   68                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   28   28                                       
CONECT   26   29                                                      
CONECT   27   26                                                      
CONECT   28   26   26                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   69   70                                       
CONECT   31   30   32   36   71                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   38   72                                       
CONECT   34   33   35   36   73                                       
CONECT   35   34   74                                                 
CONECT   36   31   34   37   75                                       
CONECT   37   36   76                                                 
CONECT   38   33   39   47                                            
CONECT   39   38   40   40   77                                       
CONECT   40   39   39   41                                            
CONECT   41   40   42   47   47                                       
CONECT   42   41   43   44   44                                       
CONECT   43   42   78   79                                            
CONECT   44   42   42   45                                            
CONECT   45   44   46   46   80                                       
CONECT   46   45   45   47                                            
CONECT   47   38   41   41   46                                       
CONECT   48   19   49   50   81                                       
CONECT   49   48   82                                                 
CONECT   50   17   48   51   83                                       
CONECT   51   50   84                                                 
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    5                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   23                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   39                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   45                                                      
CONECT   81   48                                                      
CONECT   82   49                                                      
CONECT   83   50                                                      
CONECT   84   51                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
