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XHE.frcmod
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MASS
BOND
ANGLE
DIHE
cx-cx-ns-c 6 0.000 0.000 2.000 same as X -cx-n -X , penalty score= 0.0
cx-cx-ns-hn 6 0.000 0.000 2.000 same as X -cx-n -X , penalty score= 0.0
o -c -ns-cx 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
c3-c -ns-cx 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
c -c3-nu-cc 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
c -c3-nu-hn 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
cd-cc-nu-c3 4 4.200 180.000 2.000 same as X -cc-nh-X , penalty score= 0.0
cc-cc-nu-c3 4 4.200 180.000 2.000 same as X -cc-nh-X , penalty score= 0.0
ca-ca-cc-cc 1 3.770 180.000 2.000 same as ca-ca-ce-cc, penalty score=136.0
ca-ca-cc-cd 1 0.585 180.000 2.000 same as ca-ca-ce-c2, penalty score=223.0
h1-cx-ns-c 6 0.000 0.000 2.000 same as X -cx-n -X , penalty score= 0.0
h1-cx-ns-hn 6 0.000 0.000 2.000 same as X -cx-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
c3-c -ns-hn 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
h1-c3-nu-cc 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
h1-c3-nu-hn 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
cd-cc-nu-hn 4 4.200 180.000 2.000 same as X -cc-nh-X , penalty score= 0.0
cc-cc-nu-hn 4 4.200 180.000 2.000 same as X -cc-nh-X , penalty score= 0.0
IMPROPER
c -cx-ns-hn 1.1 180.0 2.0 Same as X -X -n -hn, penalty score= 6.0 (use general term))
c3-ns-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
c3-cc-nu-hn 1.1 180.0 2.0 Using the default value
cc-cd-cc-nu 1.1 180.0 2.0 Using the default value
c -cc-cd-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 38.9 (use general term))
cd-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
c -c3-n -cd 1.1 180.0 2.0 Using the default value
cc-h4-cd-n 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term))
ca-cc-cc-cd 1.1 180.0 2.0 Using the default value
ca-ca-ca-cc 1.1 180.0 2.0 Using the default value
ca-ca-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0)
ca-ca-ca-os 1.1 180.0 2.0 Using the default value
NONBON