COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.369  -2.421   2.720  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.156  -0.668   0.777  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.909  -1.290   0.649  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.513  -2.190   1.653  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.032  -1.005  -0.504  1.00  0.00           C  
HETATM    6  CA  UNL     1       1.986  -1.308  -1.748  1.00  0.00           C  
HETATM    7  C   UNL     1       3.313  -0.732  -1.250  1.00  0.00           C  
HETATM    8  C   UNL     1       3.063   0.624  -0.587  1.00  0.00           C  
HETATM    9  C   UNL     1       5.135   3.035   1.392  1.00  0.00           C  
HETATM   10  C   UNL     1       2.246  -2.583  -2.508  1.00  0.00           C  
HETATM   11  O   UNL     1       1.755  -3.621  -2.132  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.536  -1.814   2.793  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.962  -3.384   3.806  1.00  0.00           C  
HETATM   14  O   UNL     1       0.686  -2.821   1.580  1.00  0.00           O  
HETATM   15  C   UNL     1       4.368   1.143   0.020  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.635   0.307  -0.268  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.943  -0.963   1.871  1.00  0.00           C  
HETATM   18  N   UNL     1       1.116  -1.591  -0.603  1.00  0.00           N  
HETATM   19  N   UNL     1       4.105   2.382   0.757  1.00  0.00           N  
HETATM   20  N   UNL     1       6.344   2.553   1.339  1.00  0.00           N  
HETATM   21  N   UNL     1       4.888   4.198   2.084  1.00  0.00           N  
HETATM   22  O   UNL     1       2.591   1.553  -1.565  1.00  0.00           O  
HETATM   23  OXT UNL     1       3.022  -2.565  -3.603  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.930   0.793   0.091  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.118   1.190  -2.220  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.099   2.273  -0.035  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.913   3.057  -1.024  1.00  0.00           O  
HETATM   28  P   UNL     1      -4.747   1.855  -0.802  1.00  0.00           P  
HETATM   29  H   UNL     1      -0.351  -0.308  -1.265  1.00  0.00           H  
HETATM   30  HA  UNL     1       1.500  -0.586  -2.404  1.00  0.00           H  
HETATM   31  H   UNL     1       3.757  -1.414  -0.525  1.00  0.00           H  
HETATM   32  H   UNL     1       3.993  -0.604  -2.093  1.00  0.00           H  
HETATM   33  H   UNL     1       2.316   0.513   0.199  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.426  -2.845   4.587  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.851  -3.849   4.231  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.315  -4.153   3.385  1.00  0.00           H  
HETATM   37  H   UNL     1       1.410  -2.341   2.005  1.00  0.00           H  
HETATM   38  H   UNL     1       4.775   0.395   0.701  1.00  0.00           H  
HETATM   39  H   UNL     1       5.086   1.339  -0.776  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.938   1.143  -0.332  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.690  -0.195  -1.234  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.907  -0.487   1.976  1.00  0.00           H  
HETATM   43  H   UNL     1       3.205   2.741   0.797  1.00  0.00           H  
HETATM   44  H   UNL     1       6.518   1.733   0.851  1.00  0.00           H  
HETATM   45  H   UNL     1       3.988   4.557   2.123  1.00  0.00           H  
HETATM   46  H   UNL     1       5.614   4.659   2.532  1.00  0.00           H  
HETATM   47  H   UNL     1       3.206   1.702  -2.296  1.00  0.00           H  
HETATM   48  HXT UNL     1       3.160  -3.408  -4.057  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.665   0.395  -2.151  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.642   2.912  -0.516  1.00  0.00           H  
CONECT    1   12   12    4   13                                       
CONECT    2   16   17   17    3                                       
CONECT    3    2    5    4    4                                       
CONECT    4    3    3    1   14                                       
CONECT    5    3   18   18   29                                       
CONECT    6    7   18   10   30                                       
CONECT    7    8    6   31   32                                       
CONECT    8   15   22    7   33                                       
CONECT    9   20   20   21   19                                       
CONECT   10    6   11   11   23                                       
CONECT   11   10   10                                                 
CONECT   12   17    1    1                                            
CONECT   13    1   34   35   36                                       
CONECT   14    4   37                                                 
CONECT   15   19    8   38   39                                       
CONECT   16   24    2   40   41                                       
CONECT   17    2    2   12   42                                       
CONECT   18    5    5    6                                            
CONECT   19    9   15   43                                            
CONECT   20    9    9   44                                            
CONECT   21    9   45   46                                            
CONECT   22    8   47                                                 
CONECT   23   10   48                                                 
CONECT   24   28   16                                                 
CONECT   25   28   49                                                 
CONECT   26   28   50                                                 
CONECT   27   28   28                                                 
CONECT   28   27   27   25   26                                       
CONECT   28   24                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
