COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.176   0.963  -0.597  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.312  -1.462   0.955  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.289  -0.806   0.308  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.188   0.576  -1.195  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.002  -1.360   0.296  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.907  -0.667  -0.391  1.00  0.00           C  
HETATM    7  CA  UNL     1      -1.884   1.096  -1.803  1.00  0.00           C  
HETATM    8  C   UNL     1       1.087   1.398   0.479  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.076  -2.669   1.596  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.817  -3.231   1.590  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.769  -2.584   0.947  1.00  0.00           C  
HETATM   12  C   UNL     1       1.223   3.879   3.338  1.00  0.00           C  
HETATM   13  C   UNL     1       1.605   2.790   2.370  1.00  0.00           C  
HETATM   14  C   UNL     1       3.171   1.255   1.651  1.00  0.00           C  
HETATM   15  C   UNL     1       2.349   0.814   0.635  1.00  0.00           C  
HETATM   16  C   UNL     1       2.803  -0.282  -0.294  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.181   2.265  -2.705  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715   2.415   1.374  1.00  0.00           C  
HETATM   19  N   UNL     1       2.781   2.206   2.478  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.982   1.524  -0.730  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.500  -3.145   0.943  1.00  0.00           N  
HETATM   22  O   UNL     1       4.117  -0.706   0.075  1.00  0.00           O  
HETATM   23  O   UNL     1       6.405  -1.988  -0.104  1.00  0.00           O  
HETATM   24  O   UNL     1       4.145  -3.267  -0.518  1.00  0.00           O  
HETATM   25  O   UNL     1       4.991  -1.531  -2.144  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.775  -1.095  -0.312  1.00  0.00           O  
HETATM   27  OXT UNL     1      -2.992   2.107  -3.764  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.691   3.345  -2.477  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.495   3.022   1.266  1.00  0.00           O  
HETATM   30  P   UNL     1       4.916  -1.865  -0.705  1.00  0.00           P  
HETATM   31  H   UNL     1       0.478   0.180  -1.276  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.302  -1.031   0.968  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.478   0.133  -0.189  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.892   0.340  -1.993  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.616   1.339  -0.546  1.00  0.00           H  
HETATM   36  HA  UNL     1      -1.410   0.302  -2.381  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.886  -3.172   2.105  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.644  -4.172   2.092  1.00  0.00           H  
HETATM   39  H   UNL     1       0.723   3.440   4.201  1.00  0.00           H  
HETATM   40  H   UNL     1       2.120   4.405   3.667  1.00  0.00           H  
HETATM   41  H   UNL     1       0.550   4.582   2.848  1.00  0.00           H  
HETATM   42  H   UNL     1       4.144   0.805   1.781  1.00  0.00           H  
HETATM   43  H   UNL     1       2.116  -1.126  -0.224  1.00  0.00           H  
HETATM   44  H   UNL     1       2.816   0.091  -1.318  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.755  -2.657   0.561  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.358  -4.026   1.324  1.00  0.00           H  
HETATM   47  H   UNL     1       6.945  -2.670  -0.528  1.00  0.00           H  
HETATM   48  H   UNL     1       4.059  -3.549   0.403  1.00  0.00           H  
HETATM   49  HXT UNL     1      -3.153   2.886  -4.314  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.197   2.593   1.775  1.00  0.00           H  
CONECT    1   20   20    8   31                                       
CONECT    2    3    3    9   32                                       
CONECT    3    2    2    5   33                                       
CONECT    4    6    7   34   35                                       
CONECT    5    3    6   11   11                                       
CONECT    6   26   26    5    4                                       
CONECT    7    4   17   20   36                                       
CONECT    8   15   15   18    1                                       
CONECT    9    2   10   10   37                                       
CONECT   10    9    9   11   38                                       
CONECT   11    5    5   10   21                                       
CONECT   12   13   39   40   41                                       
CONECT   13   19   12   18   18                                       
CONECT   14   19   19   15   42                                       
CONECT   15   14   16    8    8                                       
CONECT   16   15   22   43   44                                       
CONECT   17   28   28   27    7                                       
CONECT   18   13   13    8   29                                       
CONECT   19   14   14   13                                            
CONECT   20    7    1    1                                            
CONECT   21   11   45   46                                            
CONECT   22   16   30                                                 
CONECT   23   30   47                                                 
CONECT   24   30   48                                                 
CONECT   25   30   30                                                 
CONECT   26    6    6                                                 
CONECT   27   17   49                                                 
CONECT   28   17   17                                                 
CONECT   29   18   50                                                 
CONECT   30   25   25   22   24                                       
CONECT   30   23                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
