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X9U.frcmod
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MASS
BOND
ANGLE
DIHE
ns-c -ca-ca 4 8.490 180.000 2.000 same as n -c -ca-ca, penalty score= 0.0
o -c -ns-ca 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
ca-ca-cd-cd 1 0.585 180.000 2.000 same as ca-ca-ce-c2, penalty score=229.0
ca-ca-cd-cc 1 3.770 180.000 2.000 same as ca-ca-ce-cc, penalty score=142.0
ca-ca-nv-hn 4 4.200 180.000 2.000 same as X -ca-nh-X , penalty score= 0.0
ca-ca-ns-hn 4 1.800 180.000 2.000 same as X -ca-n -X , penalty score= 0.0
ca-c -ns-hn 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
o -c -ns-hn 1 2.500 180.000 -2.000 same as o -c -n -hn
o -c -ns-hn 1 2.000 0.000 1.000 same as o -c -n -hn, penalty score= 0.0
IMPROPER
ca-ca-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0)
ca-cp-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0)
ca-hn-nv-hn 1.1 180.0 2.0 Using the default value
ca-ca-cp-cp 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score=327.0)
c -ca-ns-hn 1.1 180.0 2.0 Same as X -X -n -hn, penalty score= 6.0 (use general term))
ca-ca-ca-nv 1.1 180.0 2.0 Using the default value
ca-ca-ca-ns 1.1 180.0 2.0 Using the default value
ca-ns-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
c -ca-ca-ca 1.1 180.0 2.0 Using the default value
c -cd-cc-na 1.1 180.0 2.0 Using the default value
cc-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
cc-cd-cd-cd 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score=296.1)
cc-cc-na-hn 1.1 180.0 2.0 Using general improper torsional angle X- X-na-hn, penalty score= 6.0)
ca-ca-ca-cd 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score= 54.0)
ca-cc-cd-cd 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score=273.2)
cd-h4-cc-na 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term))
cc-cd-cd-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 38.9 (use general term))
cd-h4-cc-n 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term))
c -c3-n -cc 1.1 180.0 2.0 Same as c2-c2-na-c3, penalty score=290.4)
NONBON