File: featDef2.txt

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AtomType a1 [N,O;!H0]
AtomType a2 \
 [N,O]
DefineFeature HDonor1 [{a1}]
    Family HBondDonor
    Weights 1.0
EndFeature
DefineFeature HAcceptor1 [{a2}]
    Family \ 
    HBondAcceptor
    Weights 1.0
EndFeature