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Copy pathXKO.frcmod
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XKO.frcmod
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MASS
BOND
ANGLE
DIHE
os-c3-c5-c5 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
os-c3-c5-h1 1 0.000 0.000 -3.000 same as h1-c3-c3-os
os-c3-c5-h1 1 0.250 0.000 1.000 same as h1-c3-c3-os, penalty score= 0.0
c -ns-s6-os 6 6.600 180.000 2.000 same as X -n -s6-X , penalty score= 0.0
hn-ns-s6-os 6 6.600 180.000 2.000 same as X -n -s6-X , penalty score= 0.0
c3-c5-os-c5 1 0.750 0.000 -3.000 same as c3-c3-os-c3
c3-c5-os-c5 1 0.080 0.000 -2.000 same as c3-c3-os-c3
c3-c5-os-c5 1 0.880 180.000 1.000 same as c3-c3-os-c3, penalty score= 0.0
c3-c5-c5-oh 1 0.180 0.000 3.000 same as c3-c3-c3-oh, penalty score= 0.0
c3-c5-c5-c5 1 0.520 0.000 3.000 same as c3-c3-c3-c3, penalty score= 0.0
c3-c5-c5-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c5-c5-os-c5 1 0.750 0.000 -3.000 same as c3-c3-os-c3
c5-c5-os-c5 1 0.080 0.000 -2.000 same as c3-c3-os-c3
c5-c5-os-c5 1 0.880 180.000 1.000 same as c3-c3-os-c3, penalty score= 0.0
na-c5-os-c5 1 0.383 0.000 -3.000 same as na-c3-os-c3
na-c5-os-c5 1 0.650 0.000 2.000 same as na-c3-os-c3, penalty score= 0.0
h2-c5-os-c5 3 1.150 0.000 3.000 same as X -c3-os-X , penalty score= 0.0
c5-c5-oh-ho 1 0.060 0.000 3.000 same as c3-c3-oh-ho, penalty score= 0.0
c5-c5-c5-oh 1 0.180 0.000 3.000 same as c3-c3-c3-oh, penalty score= 0.0
c5-c5-c5-c5 1 0.520 0.000 3.000 same as c3-c3-c3-c3, penalty score= 0.0
c5-c5-c5-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
oh-c5-c5-os 1 0.790 0.000 -3.000 same as oh-c3-c5-os
oh-c5-c5-os 1 1.260 0.000 -2.000 same as oh-c3-c5-os
oh-c5-c5-os 1 0.590 0.000 1.000 same as oh-c3-c5-os, penalty score= 0.0
c5-c5-c5-os 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c5-c5-os 1 0.000 0.000 -3.000 same as h1-c3-c3-os
h1-c5-c5-os 1 0.250 0.000 1.000 same as h1-c3-c3-os, penalty score= 0.0
c5-c5-c5-na 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c5-c5-c5-h2 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
oh-c5-c5-oh 1 1.440 0.000 -3.000 same as oh-c3-c3-oh
oh-c5-c5-oh 1 1.000 0.000 1.000 same as oh-c3-c3-oh, penalty score= 0.0
h1-c5-c5-oh 1 0.000 0.000 -3.000 same as h1-c3-c3-oh
h1-c5-c5-oh 1 0.250 0.000 1.000 same as h1-c3-c3-oh, penalty score= 0.0
na-c5-c5-oh 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h2-c5-c5-oh 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
os-c5-na-cc 6 8.800 0.000 -2.000 same as os-c3-na-cc
os-c5-na-cc 1 0.200 0.000 -3.000 same as os-c3-na-cc
os-c5-na-cc 1 2.390 0.000 1.000 same as os-c3-na-cc, penalty score= 0.0
c5-c5-na-cc 6 0.000 0.000 2.000 same as X -c3-na-X , penalty score= 0.0
h2-c5-na-cc 6 0.000 0.000 2.000 same as X -c3-na-X , penalty score= 0.0
na-cd-nu-c3 4 4.200 180.000 2.000 same as X -cd-nh-X , penalty score= 0.0
na-cd-nu-hn 4 4.200 180.000 2.000 same as X -cd-nh-X , penalty score= 0.0
h1-c3-nu-cd 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
nc-cd-nu-c3 4 4.200 180.000 2.000 same as X -cd-nh-X , penalty score= 0.0
nc-cd-nu-hn 4 4.200 180.000 2.000 same as X -cd-nh-X , penalty score= 0.0
c3-c -ns-s6 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
o -c -ns-s6 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
c -ns-s6-o 6 6.600 180.000 2.000 same as X -n -s6-X , penalty score= 0.0
hn-ns-s6-o 6 6.600 180.000 2.000 same as X -n -s6-X , penalty score= 0.0
ca-ca-cc-c3 1 0.600 180.000 2.000 same as ca-ca-ce-c3, 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-c3-c5-os 1 0.000 0.000 -3.000 same as h1-c3-c3-os
h1-c3-c5-os 1 0.250 0.000 1.000 same as h1-c3-c3-os, penalty score= 0.0
h1-c3-c5-c5 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c3-c5-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c5-os-c5 1 0.337 0.000 3.000 same as h1-c3-os-c3, penalty score= 0.0
h1-c5-c5-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c5-oh-ho 1 0.123 0.000 3.000 same as h1-c3-oh-ho, penalty score= 0.0
h1-c5-c5-na 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c5-c5-h2 9 1.400 0.000 3.000 same as X -c3-c3-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
c3-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
c5-cc-na-cc 1.1 180.0 2.0 Same as c2-c2-na-c3, penalty score= 42.6)
h5-na-cc-nd 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.5 (use general term))
cc-cd-cd-nd 1.1 180.0 2.0 Using the default value
cd-na-cd-nc 1.1 180.0 2.0 Using the default value
cd-cd-na-cd 1.1 180.0 2.0 Using the default value
na-nc-cd-nu 1.1 180.0 2.0 Using the default value
cd-na-cc-nc 1.1 180.0 2.0 Using the default value
cd-h4-cc-nc 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term))
cc-h4-cd-na 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term))
c3-cd-nu-hn 1.1 180.0 2.0 Using the default value
c -hn-ns-s6 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-ca-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-na 1.1 180.0 2.0 Using the default value
ca-cd-na-hn 1.1 180.0 2.0 Using general improper torsional angle X- X-na-hn, penalty score= 6.0)
ca-ca-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0)
NONBON