RESIDUE   A1JKJ     52
CONECT      C1     4 C2   H1A  H1B  H1C 
CONECT      C2     4 C1   N3   C13  H2  
CONECT      N3     3 C2   C4   C14 
CONECT      C4     4 N3   C5   H4A  H4B 
CONECT      C5     4 C4   C6   H5A  H5B 
CONECT      C6     3 C5   C7   C13 
CONECT      C7     3 C6   C8   H7  
CONECT      C8     3 C7   CL9  C10 
CONECT      CL9    1 C8  
CONECT      C10    3 C8   C11  H10 
CONECT      C11    3 C10  CL12 C13 
CONECT      CL12   1 C11 
CONECT      C13    3 C2   C6   C11 
CONECT      C14    3 N3   O15  C16 
CONECT      O15    1 C14 
CONECT      C16    4 C14  C17  O21  H16 
CONECT      C17    4 C16  N18  H17A H17B
CONECT      N18    3 C17  C19  C22 
CONECT      C19    4 N18  C20  H19A H19B
CONECT      C20    4 C19  O21  H20A H20B
CONECT      O21    2 C16  C20 
CONECT      C22    3 N18  C23  C31 
CONECT      C23    3 C22  O24  C28 
CONECT      O24    2 C23  C25 
CONECT      C25    3 O24  N26  N27 
CONECT      N26    3 C25  H26A H26B
CONECT      N27    2 C25  C28 
CONECT      C28    3 C23  N27  C29 
CONECT      C29    3 C28  N30  H29 
CONECT      N30    2 C29  C31 
CONECT      C31    3 C22  N30  H31 
CONECT      H1A    1 C1  
CONECT      H1B    1 C1  
CONECT      H1C    1 C1  
CONECT      H2     1 C2  
CONECT      H4A    1 C4  
CONECT      H4B    1 C4  
CONECT      H5A    1 C5  
CONECT      H5B    1 C5  
CONECT      H7     1 C7  
CONECT      H10    1 C10 
CONECT      H16    1 C16 
CONECT      H17A   1 C17 
CONECT      H17B   1 C17 
CONECT      H19A   1 C19 
CONECT      H19B   1 C19 
CONECT      H20A   1 C20 
CONECT      H20B   1 C20 
CONECT      H26A   1 N26 
CONECT      H26B   1 N26 
CONECT      H29    1 C29 
CONECT      H31    1 C31 
END   
HET    A1JKJ             52
HETNAM     A1JKJ [(2~{R})-4-(2-azanyl-[1,3]oxazolo[4,5-c]pyridin-7-yl)mo
HETNAM   2 A1JKJ rpholin-2-yl]-[(1~{S})-6,8-bis(chloranyl)-1-methyl-3,4-
HETNAM   3 A1JKJ dihydro-1~{H}-isoquinolin-2-yl]methanone
FORMUL      A1JKJ    C21 H21 Cl2 N5 O3