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- dmuta(A,[neg]) :- + atom(A,I,J,27,K), + atom(A,L,M,29,N), !.
- dmuta(A,[pos]) :- + atom(A,I,J,41,K), + atom(A,L,M,42,N), atom(A,O,P,1,Q), atom(A,R,S,10,T), !. %
- testnr(150,150).
- logmutag(150,-1.61).
- neg(150).
- lumo(150,-0.995).
- logp(150,-0.02).
- atom(150,d150_1,c,21,0.03).
- atom(150,d150_2,c,21,0.03).
- ...
- bond(150,d150_1,d150_2,7).
- bond(150,d150_2,d150_3,7).
- ...
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