COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.099   0.814   1.707  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.182   0.700   0.507  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.069   0.644  -0.241  1.00  0.00           O  
HETATM    4  C   UNL     1       0.201   0.726   0.459  1.00  0.00           C  
HETATM    5  C   UNL     1       1.270   1.380  -0.437  1.00  0.00           C  
HETATM    6  C   UNL     1       1.798   2.653   0.228  1.00  0.00           C  
HETATM    7  P   UNL     1       3.448   4.691  -0.286  1.00  0.00           P  
HETATM    8  O   UNL     1       2.338   0.430  -0.590  1.00  0.00           O  
HETATM    9  C   UNL     1       1.762  -0.883  -0.424  1.00  0.00           C  
HETATM   10  C   UNL     1       0.757  -0.692   0.741  1.00  0.00           C  
HETATM   11  N   UNL     1       2.793  -1.857  -0.059  1.00  0.00           N  
HETATM   12  C   UNL     1       2.737  -3.213  -0.260  1.00  0.00           C  
HETATM   13  N   UNL     1       1.847  -4.047  -0.788  1.00  0.00           N  
HETATM   14  C   UNL     1       2.088  -5.341  -0.839  1.00  0.00           C  
HETATM   15  C   UNL     1       3.989  -1.581   0.536  1.00  0.00           C  
HETATM   16  N   UNL     1       4.660  -2.682   0.715  1.00  0.00           N  
HETATM   17  C   UNL     1       3.942  -3.730   0.245  1.00  0.00           C  
HETATM   18  C   UNL     1       4.153  -5.117   0.168  1.00  0.00           C  
HETATM   19  N   UNL     1       5.321  -5.683   0.648  1.00  0.00           N  
HETATM   20  N   UNL     1       3.205  -5.872  -0.377  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.536   0.615  -0.150  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.627   0.697   0.919  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.911   0.616   0.296  1.00  0.00           O  
HETATM   24  C   UNL     1      -7.006   0.683   1.212  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.323   0.587   0.439  1.00  0.00           C  
HETATM   26  O   UNL     1      -8.423  -0.698  -0.176  1.00  0.00           O  
HETATM   27  C   UNL     1      -9.623  -0.892  -0.927  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.622  -2.295  -1.537  1.00  0.00           C  
HETATM   29  O   UNL     1       2.701   3.314  -0.660  1.00  0.00           O  
HETATM   30  O   UNL     1       4.483   5.076  -1.458  1.00  0.00           O  
HETATM   31  O   UNL     1       2.359   5.865  -0.125  1.00  0.00           O  
HETATM   32  H   UNL     1       0.087   1.285   1.388  1.00  0.00           H  
HETATM   33  H   UNL     1       0.842   1.617  -1.411  1.00  0.00           H  
HETATM   34  H   UNL     1       0.963   3.316   0.456  1.00  0.00           H  
HETATM   35  H   UNL     1       2.318   2.393   1.149  1.00  0.00           H  
HETATM   36  H   UNL     1       1.246  -1.194  -1.332  1.00  0.00           H  
HETATM   37  H   UNL     1       1.266  -0.725   1.704  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.038  -1.437   0.696  1.00  0.00           H  
HETATM   39  H   UNL     1       1.344  -5.991  -1.275  1.00  0.00           H  
HETATM   40  H   UNL     1       4.328  -0.595   0.816  1.00  0.00           H  
HETATM   41  H   UNL     1       6.005  -5.121   1.044  1.00  0.00           H  
HETATM   42  H   UNL     1       5.455  -6.642   0.589  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.652   1.442  -0.851  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.621  -0.330  -0.685  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.511  -0.130   1.620  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.542   1.642   1.454  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.939  -0.144   1.919  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.970   1.628   1.753  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.158   0.727   1.126  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.351   1.361  -0.329  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.485  -0.783  -0.269  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.677  -0.150  -1.723  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.567  -3.038  -0.741  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.537  -2.443  -2.110  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.760  -2.404  -2.196  1.00  0.00           H  
HETATM   56  H   UNL     1       4.969   5.896  -1.300  1.00  0.00           H  
HETATM   57  H   UNL     1       1.838   6.031  -0.923  1.00  0.00           H  
HETATM   58  O   UNL     1       4.184   4.523   0.986  1.00  0.00           O  
CONECT    1    2    2                                                 
CONECT    2   21    1    1    3                                       
CONECT    3    2    4                                                 
CONECT    4    3   10    5   32                                       
CONECT    5    4    8    6   33                                       
CONECT    6    5   29   34   35                                       
CONECT    7   30   29   31   58                                       
CONECT    7   58                                                      
CONECT    8    9    5                                                 
CONECT    9   10   11    8   36                                       
CONECT   10    4    9   37   38                                       
CONECT   11   12    9   15                                            
CONECT   12   13   13   17   11                                       
CONECT   13   14   12   12                                            
CONECT   14   20   20   13   39                                       
CONECT   15   11   16   16   40                                       
CONECT   16   17   15   15                                            
CONECT   17   18   18   12   16                                       
CONECT   18   20   19   17   17                                       
CONECT   19   18   41   42                                            
CONECT   20   14   14   18                                            
CONECT   21   22    2   43   44                                       
CONECT   22   23   21   45   46                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   47   48                                       
CONECT   25   24   26   49   50                                       
CONECT   26   27   25                                                 
CONECT   27   28   26   51   52                                       
CONECT   28   27   53   54   55                                       
CONECT   29    6    7                                                 
CONECT   30    7   56                                                 
CONECT   31    7   57                                                 
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58    7    7                                                 
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
