COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.928  -3.045   1.258  1.00  0.00           C  
HETATM    2  C   UNL     1       5.124  -1.086   0.072  1.00  0.00           C  
HETATM    3  C   UNL     1       6.357  -1.531  -0.438  1.00  0.00           C  
HETATM    4  C   UNL     1       6.821  -2.796  -0.039  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.515  -0.672  -2.366  1.00  0.00           N  
HETATM    6  CA  UNL     1      -7.334  -1.492  -1.160  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.676  -1.751  -0.523  1.00  0.00           C  
HETATM    8  O   UNL     1      -8.827  -2.776   0.330  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.435  -0.750  -0.169  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.035  -0.597  -0.768  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.149   0.134   0.208  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.868   0.383  -0.106  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.591   0.495   1.273  1.00  0.00           O  
HETATM   14  C   UNL     1       3.809   0.984  -0.253  1.00  0.00           C  
HETATM   15  C   UNL     1       3.611   2.207  -0.800  1.00  0.00           C  
HETATM   16  C   UNL     1       2.375   2.685  -0.297  1.00  0.00           C  
HETATM   17  C   UNL     1       1.891   1.730   0.523  1.00  0.00           C  
HETATM   18  C   UNL     1       0.593   1.800   1.286  1.00  0.00           C  
HETATM   19  C   UNL     1       5.983   0.433  -1.279  1.00  0.00           C  
HETATM   20  N   UNL     1       6.078  -3.507   0.803  1.00  0.00           N  
HETATM   21  N   UNL     1       4.451  -1.869   0.909  1.00  0.00           N  
HETATM   22  N   UNL     1       8.027  -3.288  -0.507  1.00  0.00           N  
HETATM   23  N   UNL     1       6.827  -0.558  -1.254  1.00  0.00           N  
HETATM   24  N   UNL     1       4.915   0.156  -0.477  1.00  0.00           N  
HETATM   25  O   UNL     1       4.441   2.855  -1.665  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.042   0.443   2.279  1.00  0.00           O  
HETATM   27  O   UNL     1       1.788   3.879  -0.587  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.572   2.655   1.184  1.00  0.00           O  
HETATM   29  O   UNL     1       2.763   0.703   0.546  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.459   1.254   0.488  1.00  0.00           O  
HETATM   31  P   UNL     1      -1.986   1.168   0.990  1.00  0.00           P  
HETATM   32  H   UNL     1       4.355  -3.656   1.940  1.00  0.00           H  
HETATM   33  H1  UNL     1      -8.052  -1.167  -3.062  1.00  0.00           H  
HETATM   34  H2  UNL     1      -7.943   0.213  -2.140  1.00  0.00           H  
HETATM   35  HA  UNL     1      -6.872  -2.440  -1.431  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.706  -2.903   0.713  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.853   0.236   0.034  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.373  -1.317   0.760  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.617  -1.583  -0.971  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.097  -0.030  -1.697  1.00  0.00           H  
HETATM   41  H   UNL     1       0.683   1.227   2.209  1.00  0.00           H  
HETATM   42  H   UNL     1       0.367   2.839   1.524  1.00  0.00           H  
HETATM   43  H   UNL     1       6.109   1.341  -1.851  1.00  0.00           H  
HETATM   44  H   UNL     1       8.562  -2.758  -1.118  1.00  0.00           H  
HETATM   45  H   UNL     1       8.337  -4.162  -0.224  1.00  0.00           H  
HETATM   46  H   UNL     1       4.260   2.669  -2.597  1.00  0.00           H  
HETATM   47  H   UNL     1       1.197   3.852  -1.352  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.566   3.189   0.378  1.00  0.00           H  
HETATM   49  OXT UNL     1      -9.615  -1.036  -0.781  1.00  0.00           O  
CONECT    1   21   21   20   32                                       
CONECT    2   24    3    3   21                                       
CONECT    3   23    2    2    4                                       
CONECT    4    3   22   20   20                                       
CONECT    5    6   33   34                                            
CONECT    6    5    9    7   35                                       
CONECT    7    6    8   49   49                                       
CONECT    8    7   36                                                 
CONECT    9    6   10   37   38                                       
CONECT   10    9   11   39   40                                       
CONECT   11   10   13   13   12                                       
CONECT   12   11   31                                                 
CONECT   13   11   11                                                 
CONECT   14   24   15   15   29                                       
CONECT   15   25   14   14   16                                       
CONECT   16   15   17   17   27                                       
CONECT   17   29   16   16   18                                       
CONECT   18   30   17   41   42                                       
CONECT   19   23   23   24   43                                       
CONECT   20    4    4    1                                            
CONECT   21    2    1    1                                            
CONECT   22    4   44   45                                            
CONECT   23   19   19    3                                            
CONECT   24   19   14    2                                            
CONECT   25   15   46                                                 
CONECT   26   31   31                                                 
CONECT   27   16   47                                                 
CONECT   28   31   48                                                 
CONECT   29   14   17                                                 
CONECT   30   31   18                                                 
CONECT   31   12   26   26   28                                       
CONECT   31   30                                                      
CONECT   32    1                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49    7    7                                                 
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
