COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1      -4.999   0.979  -6.662  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.258   0.801  -5.301  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.524   0.417  -4.878  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.777   0.243  -3.532  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.772   0.450  -2.605  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.510   0.832  -3.023  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.252   1.014  -4.367  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.417   1.056  -2.010  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.702  -0.187  -1.787  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.676  -0.227  -0.915  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.349   0.777  -0.315  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.012  -1.381  -0.708  1.00  0.00           N  
HETATM   13  C   UNL     1       0.028  -1.453   0.319  1.00  0.00           C  
HETATM   14  C   UNL     1       1.090  -0.387   0.045  1.00  0.00           C  
HETATM   15  C   UNL     1       1.705  -0.627  -1.309  1.00  0.00           C  
HETATM   16  C   UNL     1       1.154  -0.037  -2.431  1.00  0.00           C  
HETATM   17  C   UNL     1       1.716  -0.256  -3.674  1.00  0.00           C  
HETATM   18  C   UNL     1       2.823  -1.433  -1.426  1.00  0.00           C  
HETATM   19  C   UNL     1       3.385  -1.660  -2.668  1.00  0.00           C  
HETATM   20  C   UNL     1       2.833  -1.069  -3.796  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.586  -1.213   1.674  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.626  -0.597   1.767  1.00  0.00           O  
HETATM   23  O   UNL     1       3.388  -1.286  -5.017  1.00  0.00           O  
HETATM   24  P   UNL     1       4.491  -0.134  -5.239  1.00  0.00           P  
HETATM   25  O   UNL     1       5.191  -0.330  -6.675  1.00  0.00           O  
HETATM   26  O   UNL     1       5.515  -0.220  -4.174  1.00  0.00           O  
HETATM   27  O   UNL     1       3.778   1.308  -5.183  1.00  0.00           O  
HETATM   28  N   UNL     1       0.019  -1.683   2.782  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.634  -1.553   4.086  1.00  0.00           C  
HETATM   30  C   UNL     1       0.238  -2.202   5.162  1.00  0.00           C  
HETATM   31  C   UNL     1       0.434  -3.684   4.835  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.926  -4.381   4.794  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.800  -3.732   3.718  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.995  -2.250   4.045  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.827  -0.094   4.409  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.822   0.270   4.999  1.00  0.00           O  
HETATM   37  N   UNL     1       0.105   0.806   4.041  1.00  0.00           N  
HETATM   38  C   UNL     1      -0.037   2.210   4.433  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.742   2.983   3.317  1.00  0.00           C  
HETATM   40  C   UNL     1       0.085   2.893   2.033  1.00  0.00           C  
HETATM   41  C   UNL     1       1.469   3.498   2.276  1.00  0.00           C  
HETATM   42  C   UNL     1       2.175   2.725   3.392  1.00  0.00           C  
HETATM   43  C   UNL     1       1.347   2.815   4.676  1.00  0.00           C  
HETATM   44  C   UNL     1       2.042   2.054   5.776  1.00  0.00           C  
HETATM   45  N   UNL     1       3.282   2.412   6.163  1.00  0.00           N  
HETATM   46  O   UNL     1       1.484   1.120   6.313  1.00  0.00           O  
HETATM   47  H   UNL     1      -4.114   1.247  -6.957  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.703   0.834  -7.313  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.310   0.255  -5.601  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.761  -0.056  -3.202  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.972   0.312  -1.553  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.266   1.312  -4.693  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.855   1.396  -1.072  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.725   1.811  -2.383  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.223  -2.165  -1.240  1.00  0.00           H  
HETATM   56  H   UNL     1       0.490  -2.440   0.300  1.00  0.00           H  
HETATM   57  H   UNL     1       0.628   0.599   0.064  1.00  0.00           H  
HETATM   58  H   UNL     1       1.865  -0.440   0.810  1.00  0.00           H  
HETATM   59  H   UNL     1       0.284   0.595  -2.336  1.00  0.00           H  
HETATM   60  H   UNL     1       1.285   0.204  -4.551  1.00  0.00           H  
HETATM   61  H   UNL     1       3.251  -1.892  -0.548  1.00  0.00           H  
HETATM   62  H   UNL     1       4.255  -2.293  -2.760  1.00  0.00           H  
HETATM   63  H   UNL     1       5.843   0.377  -6.768  1.00  0.00           H  
HETATM   64  H   UNL     1       3.120   1.323  -5.890  1.00  0.00           H  
HETATM   65  H   UNL     1       0.889  -2.107   2.716  1.00  0.00           H  
HETATM   66  H   UNL     1       1.208  -1.705   5.191  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.248  -2.105   6.133  1.00  0.00           H  
HETATM   68  H   UNL     1       0.921  -3.780   3.865  1.00  0.00           H  
HETATM   69  H   UNL     1       1.056  -4.146   5.601  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.787  -5.437   4.561  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.414  -4.285   5.764  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.313  -3.829   2.748  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.769  -4.229   3.689  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.483  -2.154   5.016  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.618  -1.788   3.279  1.00  0.00           H  
HETATM   76  H   UNL     1       0.871   0.524   3.517  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.626   2.274   5.348  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.848   4.027   3.609  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.728   2.552   3.144  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.417   3.443   1.238  1.00  0.00           H  
HETATM   81  H   UNL     1       0.191   1.848   1.741  1.00  0.00           H  
HETATM   82  H   UNL     1       1.363   4.543   2.567  1.00  0.00           H  
HETATM   83  H   UNL     1       2.059   3.434   1.361  1.00  0.00           H  
HETATM   84  H   UNL     1       3.161   3.156   3.565  1.00  0.00           H  
HETATM   85  H   UNL     1       2.281   1.681   3.100  1.00  0.00           H  
HETATM   86  H   UNL     1       1.241   3.860   4.968  1.00  0.00           H  
HETATM   87  H   UNL     1       3.729   1.922   6.870  1.00  0.00           H  
HETATM   88  H   UNL     1       3.729   3.156   5.730  1.00  0.00           H  
CONECT    1    2   47   48                                            
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   49                                       
CONECT    4    3    5    5   50                                       
CONECT    5    4    4    6   51                                       
CONECT    6    5    7    7    8                                       
CONECT    7    2    6    6   52                                       
CONECT    8    6    9   53   54                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   55                                            
CONECT   13   12   14   21   56                                       
CONECT   14   13   15   57   58                                       
CONECT   15   14   16   16   18                                       
CONECT   16   15   15   17   59                                       
CONECT   17   16   20   20   60                                       
CONECT   18   15   19   19   61                                       
CONECT   19   18   18   20   62                                       
CONECT   20   17   17   19   23                                       
CONECT   21   13   22   22   28                                       
CONECT   22   21   21                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   26   26                                       
CONECT   24   27                                                      
CONECT   25   24   63                                                 
CONECT   26   24   24                                                 
CONECT   27   24   64                                                 
CONECT   28   21   29   65                                            
CONECT   29   28   30   34   35                                       
CONECT   30   29   31   66   67                                       
CONECT   31   30   32   68   69                                       
CONECT   32   31   33   70   71                                       
CONECT   33   32   34   72   73                                       
CONECT   34   29   33   74   75                                       
CONECT   35   29   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   76                                            
CONECT   38   37   39   43   77                                       
CONECT   39   38   40   78   79                                       
CONECT   40   39   41   80   81                                       
CONECT   41   40   42   82   83                                       
CONECT   42   41   43   84   85                                       
CONECT   43   38   42   44   86                                       
CONECT   44   43   45   46   46                                       
CONECT   45   44   87   88                                            
CONECT   46   44   44                                                 
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   45                                                      
CONECT   88   45                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
