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bend:pdb_example

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MODEL     7089
COMPND    Amb264320 
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      -2.347   0.000  -0.125  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.282   0.000  -0.740  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000   0.000   1.400  1.00  0.00           C  
HETATM    5  C   UNL     1       1.212   0.000   2.100  1.00  0.00           C  
HETATM    6  C   UNL     1       2.425   0.000   1.400  1.00  0.00           C  
HETATM    7  C   UNL     1       2.425   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.212   0.000  -0.700  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.282   0.000  -2.250  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.705   0.000  -2.753  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.640   0.000  -1.954  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.976   0.000  -4.208  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.296   0.000  -4.675  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.551   0.000  -6.051  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.487   0.000  -6.961  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.167   0.000  -6.495  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.912   0.000  -5.118  1.00  0.00           C  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    9                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6                                            
CONECT    6    5    5    7                                            
CONECT    7    6    8    8                                            
CONECT    8    7    7    3                                            
CONECT    9    2   10                                                 
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   13   17                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   15                                            
CONECT   15   14   14   16                                            
CONECT   16   15   17   17                                            
CONECT   17   16   16   12                                            
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
ENDMDL
bend/pdb_example.1585071560.txt.gz · Last modified: 2020/03/24 17:39 by fsilesc