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X7W.frcmod
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MASS
BOND
ANGLE
DIHE
ca-ca-nu-c6 1 0.330 180.000 2.000 same as ca-ca-nu-c3, penalty score= 0.0
ca-ca-nu-hn 4 4.200 180.000 2.000 same as X -ca-nh-X , penalty score= 0.0
c6-c6-c6-c6 1 0.520 0.000 3.000 same as c3-c3-c3-c3, penalty score= 0.0
c6-c6-c6-ca 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c6-c6-c6-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c6-c6-nu-ca 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
c6-c6-nu-hn 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
c6-c6-c6-nu 1 0.670 0.000 1.000 same as c3-c3-c3-nu, penalty score= 0.0
c6-c6-c6-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c6-c6-n3-c3 1 0.730 0.000 3.000 same as c3-c3-n3-c3, penalty score= 0.0
c6-c6-ca-ca 1 0.240 180.000 2.000 same as c3-c3-ca-ca, penalty score= 0.0
ca-nu-sy-o 6 0.600 180.000 2.000 same as X -nh-sy-X , penalty score= 0.0
ca-ca-nu-sy 4 4.200 180.000 2.000 same as X -ca-nh-X , penalty score= 0.0
ca-c6-c6-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c6-c6-c6-n3 1 0.210 0.000 3.000 same as c3-c3-c3-n3, penalty score= 0.0
hc-c6-c6-n3 1 0.100 0.000 3.000 same as hc-c3-c3-n3, penalty score= 0.0
n3-c6-c6-nu 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c6-c6-n3 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
nb-ca-nu-sy 4 4.200 180.000 2.000 same as X -ca-nh-X , penalty score= 0.0
nb-ca-nu-hn 4 4.200 180.000 2.000 same as X -ca-nh-X , penalty score= 0.0
h1-c3-n3-c6 1 0.225 0.000 3.000 same as h1-c3-n3-c3, penalty score= 0.0
h1-c6-c6-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c6-c6-nu 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c6-c6-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c6-n3-c3 1 0.225 0.000 3.000 same as h1-c3-n3-c3, penalty score= 0.0
hc-c6-c6-hc 1 0.120 0.000 3.000 same as hc-c3-c3-hc, penalty score= 0.0
hc-c6-ca-ca 1 0.000 0.000 1.000 same as hc-c3-ca-ca, penalty score= 0.0
hc-c6-c6-nu 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c6-nu-ca 1 0.420 0.000 3.000 same as h1-c3-nu-ca, penalty score= 0.0
h1-c6-nu-hn 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
hn-nu-sy-ca 6 0.600 180.000 2.000 same as X -nh-sy-X , penalty score= 0.0
hn-nu-sy-o 6 0.600 180.000 2.000 same as X -nh-sy-X , 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-ca-ca-sy 1.1 180.0 2.0 Using the default value
ca-ca-ca-nu 1.1 180.0 2.0 Using the default value
ca-nb-ca-nu 1.1 180.0 2.0 Using the default value
h5-nb-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.6 (use general term))
ca-h4-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.3 (use general term))
c6-ca-ca-ca 1.1 180.0 2.0 Using the default value
c6-ca-nu-hn 1.1 180.0 2.0 Using the default value
ca-hn-nu-sy 1.1 180.0 2.0 Using the default value
NONBON