COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.521  -4.346  -0.200  1.00  0.00           N  
HETATM    2  C   UNL     1       4.283  -3.895  -0.200  1.00  0.00           C  
HETATM    3  C   UNL     1       3.136  -4.871  -0.243  1.00  0.00           C  
HETATM    4  C   UNL     1       4.023  -2.532  -0.159  1.00  0.00           C  
HETATM    5  O   UNL     1       2.746  -2.073  -0.158  1.00  0.00           O  
HETATM    6  C   UNL     1       5.104  -1.637  -0.119  1.00  0.00           C  
HETATM    7  C   UNL     1       4.881  -0.179  -0.074  1.00  0.00           C  
HETATM    8  C   UNL     1       6.399  -2.168  -0.121  1.00  0.00           C  
HETATM    9  C   UNL     1       6.562  -3.537  -0.163  1.00  0.00           C  
HETATM   10  C   UNL     1       7.599  -1.257  -0.079  1.00  0.00           C  
HETATM   11  O   UNL     1       8.794  -2.041  -0.091  1.00  0.00           O  
HETATM   12  P   UNL     1      10.267  -1.394  -0.054  1.00  0.00           P  
HETATM   13  O   UNL     1      10.410  -0.427  -1.166  1.00  0.00           O  
HETATM   14  O   UNL     1      10.486  -0.635   1.349  1.00  0.00           O  
HETATM   15  O   UNL     1      11.368  -2.558  -0.211  1.00  0.00           O  
HETATM   16  C   UNL     1       1.616   3.958   0.115  1.00  0.00           C  
HETATM   17  C   UNL     1       2.385   3.677  -1.178  1.00  0.00           C  
HETATM   18  O   UNL     1       1.598   4.082  -2.300  1.00  0.00           O  
HETATM   19  C   UNL     1       2.678   2.176  -1.273  1.00  0.00           C  
HETATM   20  O   UNL     1       3.460   1.915  -2.441  1.00  0.00           O  
HETATM   21  C   UNL     1       3.455   1.739  -0.028  1.00  0.00           C  
HETATM   22  N   UNL     1       3.677   0.292  -0.072  1.00  0.00           N  
HETATM   23  C   UNL     1       2.645   2.095   1.221  1.00  0.00           C  
HETATM   24  C   UNL     1       3.441   1.715   2.471  1.00  0.00           C  
HETATM   25  O   UNL     1       2.381   3.499   1.232  1.00  0.00           O  
HETATM   26  P   UNL     1      -0.954   3.816   0.833  1.00  0.00           P  
HETATM   27  O   UNL     1      -0.709   3.803   2.424  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.240   5.199   0.389  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.206   2.869   0.476  1.00  0.00           O  
HETATM   30  P   UNL     1      -3.804   3.055   0.538  1.00  0.00           P  
HETATM   31  O   UNL     1      -4.294   2.972   2.069  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.169   4.374  -0.025  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.514   1.891  -0.317  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.924   1.840  -0.542  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.262   0.611  -1.388  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.060  -0.597  -0.623  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.764   0.604  -1.750  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.964   1.117  -3.068  1.00  0.00           O  
HETATM   39  C   UNL     1      -8.158  -0.889  -1.685  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.847  -1.606  -1.292  1.00  0.00           C  
HETATM   41  N   UNL     1      -7.128  -2.720  -0.382  1.00  0.00           N  
HETATM   42  C   UNL     1      -6.817  -3.998  -0.758  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.076  -5.024   0.081  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.739  -6.438  -0.316  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.685  -2.475   0.818  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.950  -1.331   1.134  1.00  0.00           O  
HETATM   47  N   UNL     1      -7.953  -3.478   1.674  1.00  0.00           N  
HETATM   48  C   UNL     1      -7.667  -4.753   1.339  1.00  0.00           C  
HETATM   49  O   UNL     1      -7.909  -5.661   2.112  1.00  0.00           O  
HETATM   50  O   UNL     1       0.362   3.273   0.083  1.00  0.00           O  
HETATM   51  H   UNL     1       2.848  -5.139   0.773  1.00  0.00           H  
HETATM   52  H   UNL     1       2.288  -4.412  -0.752  1.00  0.00           H  
HETATM   53  H   UNL     1       3.441  -5.767  -0.782  1.00  0.00           H  
HETATM   54  H   UNL     1       2.366  -1.968   0.725  1.00  0.00           H  
HETATM   55  H   UNL     1       5.724   0.496  -0.043  1.00  0.00           H  
HETATM   56  H   UNL     1       7.559  -3.954  -0.165  1.00  0.00           H  
HETATM   57  H   UNL     1       7.587  -0.600  -0.949  1.00  0.00           H  
HETATM   58  H   UNL     1       7.567  -0.656   0.830  1.00  0.00           H  
HETATM   59  H   UNL     1      10.407  -1.208   2.123  1.00  0.00           H  
HETATM   60  H   UNL     1      12.282  -2.240  -0.198  1.00  0.00           H  
HETATM   61  H   UNL     1       1.442   5.030   0.210  1.00  0.00           H  
HETATM   62  H   UNL     1       3.324   4.231  -1.171  1.00  0.00           H  
HETATM   63  H   UNL     1       1.370   5.022  -2.302  1.00  0.00           H  
HETATM   64  H   UNL     1       1.740   1.625  -1.330  1.00  0.00           H  
HETATM   65  H   UNL     1       3.030   2.174  -3.267  1.00  0.00           H  
HETATM   66  H   UNL     1       4.416   2.254   0.002  1.00  0.00           H  
HETATM   67  H   UNL     1       1.702   1.548   1.211  1.00  0.00           H  
HETATM   68  H   UNL     1       4.383   2.263   2.482  1.00  0.00           H  
HETATM   69  H   UNL     1       2.864   1.969   3.361  1.00  0.00           H  
HETATM   70  H   UNL     1       3.643   0.645   2.463  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.516   2.927   2.785  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.088   2.133   2.503  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.443   1.776   0.415  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.241   2.741  -1.067  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.654   0.596  -2.293  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.334   1.183  -1.024  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.890   1.135  -3.347  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.923  -1.049  -0.926  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.505  -1.235  -2.658  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.329  -1.964  -2.182  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.367  -4.185  -1.722  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.725  -6.674   0.005  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.439  -7.125   0.159  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.811  -6.538  -1.399  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.355  -3.284   2.535  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   51   52   53                                       
CONECT    4    2    5    6    6                                       
CONECT    5    4   54                                                 
CONECT    6    4    4    8    7                                       
CONECT    7    6   22   22   55                                       
CONECT    8    6    9    9   10                                       
CONECT    9    1    8    8   56                                       
CONECT   10    8   11   57   58                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   59                                                 
CONECT   15   12   60                                                 
CONECT   16   25   50   17   61                                       
CONECT   17   16   19   18   62                                       
CONECT   18   17   63                                                 
CONECT   19   17   21   20   64                                       
CONECT   20   19   65                                                 
CONECT   21   19   22   23   66                                       
CONECT   22    7    7   21                                            
CONECT   23   21   24   25   67                                       
CONECT   24   23   68   69   70                                       
CONECT   25   16   23                                                 
CONECT   26   28   28   50   27                                       
CONECT   26   29                                                      
CONECT   27   26   71                                                 
CONECT   28   26   26                                                 
CONECT   29   26   30                                                 
CONECT   30   29   32   32   33                                       
CONECT   30   31                                                      
CONECT   31   30   72                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   73   74                                       
CONECT   35   34   37   36   75                                       
CONECT   36   35   40                                                 
CONECT   37   35   38   39   76                                       
CONECT   38   37   77                                                 
CONECT   39   37   40   78   79                                       
CONECT   40   36   39   41   80                                       
CONECT   41   40   42   45                                            
CONECT   42   41   43   43   81                                       
CONECT   43   42   42   44   48                                       
CONECT   44   43   82   83   84                                       
CONECT   45   41   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48   85                                            
CONECT   48   43   47   49   49                                       
CONECT   49   48   48                                                 
CONECT   50   16   26                                                 
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    5                                                      
CONECT   55    7                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   27                                                      
CONECT   72   31                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   42                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
CONECT   85   47                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
