HEADER    PROTEIN                                 07-JUN-21   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 2,17-didecarboxy-neobetanin                       
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JUN-21         0                                  
HETATM    1  C   UNK     0       3.848  -2.929   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.514  -3.699   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.514  -5.239   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       3.848  -6.009   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       5.181  -5.239   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.181  -3.699   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.180  -6.009   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.153  -5.239   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       1.180  -7.549   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.848  -1.389   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.514  -0.619   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       2.514   0.921   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       3.760   1.826   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.284   3.291   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.744   3.291   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.268   1.826   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.713   4.436   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.793   4.115   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.269   2.651   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.238   1.506   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.775   2.331   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -1.823   5.260   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -3.329   4.940   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.360   6.084   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.867   5.764   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -6.342   4.299   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.312   3.155   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -3.805   3.475   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -5.788   1.690   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -7.294   1.370   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -7.849   3.979   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -6.897   6.909   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -3.884   7.549   0.000  0.00  0.00           O+0
CONECT    1    2    6   10                                                  
CONECT    2    1    3                                                       
CONECT    3    2    7    4                                                  
CONECT    4    3    5                                                       
CONECT    5    6    4                                                       
CONECT    6    5    1                                                       
CONECT    7    3    9    8                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    1   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   16                                                  
CONECT   13   14   12                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15   12   20                                                  
CONECT   17   18   15                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19   16                                                       
CONECT   21   19                                                            
CONECT   22   18   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   25   23   33                                                  
CONECT   25   24   26   32                                                  
CONECT   26   25   27   31                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27   23                                                       
CONECT   29   27   30                                                       
CONECT   30   29                                                            
CONECT   31   26                                                            
CONECT   32   25                                                            
CONECT   33   24                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END