PDB Code: J77

X-PLOR files

Heterogen file generated from the PDB Het Group Dictionary



RESIDUE   J77     54                                                       
CONECT      C1     4 C2  1H1  2H1  3H1                                     
CONECT      C2     3 C1   C3   N3                                          
CONECT      C3     3 C2   C4   H3                                          
CONECT      C4     3 C3   C5   H4                                          
CONECT      C5     3 C4   N4   N6                                          
CONECT      N4     2 C5   N3                                               
CONECT      N3     2 C2   N4                                               
CONECT      N6     3 C5   C7   C11                                         
CONECT      C7     4 N6   C8  1H7  2H7                                     
CONECT      C8     4 C7   C9  1H8  2H8                                     
CONECT      C9     4 C8   C10  C12  H9                                     
CONECT      C10    4 C9   C11 1H10 2H10                                    
CONECT      C11    4 N6   C10 1H11 2H11                                    
CONECT      C12    4 C9   C13 1H12 2H12                                    
CONECT      C13    4 C12  O14 1H13 2H13                                    
CONECT      O14    2 C13  C15                                              
CONECT      C15    3 O14  C16  C20                                         
CONECT      C16    3 C15  C17  H16                                         
CONECT      C17    3 C16  C18  H17                                         
CONECT      C18    3 C17  C19  C21                                         
CONECT      C19    3 C18  C20  H19                                         
CONECT      C20    3 C15  C19  H20                                         
CONECT      C21    3 C18  O22  O23                                         
CONECT      O22    1 C21                                                   
CONECT      O23    2 C21  C24                                              
CONECT      C24    4 O23  C25 1H24 2H24                                    
CONECT      C25    4 C24 1H25 2H25 3H25                                    
CONECT     1H1     1 C1                                                    
CONECT     2H1     1 C1                                                    
CONECT     3H1     1 C1                                                    
CONECT      H3     1 C3                                                    
CONECT      H4     1 C4                                                    
CONECT     1H7     1 C7                                                    
CONECT     2H7     1 C7                                                    
CONECT     1H8     1 C8                                                    
CONECT     2H8     1 C8                                                    
CONECT      H9     1 C9                                                    
CONECT     1H10    1 C10                                                   
CONECT     2H10    1 C10                                                   
CONECT     1H11    1 C11                                                   
CONECT     2H11    1 C11                                                   
CONECT     1H12    1 C12                                                   
CONECT     2H12    1 C12                                                   
CONECT     1H13    1 C13                                                   
CONECT     2H13    1 C13                                                   
CONECT      H16    1 C16                                                   
CONECT      H17    1 C17                                                   
CONECT      H19    1 C19                                                   
CONECT      H20    1 C20                                                   
CONECT     1H24    1 C24                                                   
CONECT     2H24    1 C24                                                   
CONECT     1H25    1 C25                                                   
CONECT     2H25    1 C25                                                   
CONECT     3H25    1 C25                                                   
END
HET    J77             54                                         
HETNAM     J77 (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)
HETNAM   2 J77 ETHYLACETATE
HETSYN     J77 R77975 
FORMUL      J77    C21 H27 N3 O3