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Copy path23R.frcmod
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23R.frcmod
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MASS
BOND
ANGLE
DIHE
c3-c6-c6-oh 1 0.180 0.000 3.000 same as c3-c3-c3-oh, penalty score= 0.0
c6-c6-c6-oh 1 0.180 0.000 3.000 same as c3-c3-c3-oh, penalty score= 0.0
hc-c6-c6-oh 1 0.090 0.000 3.000 same as hc-c3-c3-oh, penalty score= 0.0
ce-c6-c6-oh 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
hc-c3-c6-c6 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c6-c6-c6-ce 9 1.400 0.000 3.000 same as X -c3-c3-X , 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-ce-ce 1 0.372 0.000 3.000 same as c3-c3-cc-ca, penalty score=223.0
c6-c6-ce-cf 1 0.372 0.000 3.000 same as c3-c3-cc-ca, penalty score=223.0
c6-c6-c6-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c6-c6-oh-ho 1 0.060 0.000 3.000 same as c3-c3-oh-ho, penalty score= 0.0
c6-c6-ce-c2 1 0.372 0.000 3.000 same as c3-c3-cc-ca, penalty score=223.0
c3-c6-c6-ce 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c3-c6-c6-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c6-ce-ce-c6 1 0.790 0.000 1.000 same as c3-ce-ce-c3, penalty score= 0.0
oh-c6-ce-c2 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score=136.0
oh-c6-ce-ce 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score=136.0
ce-c6-oh-ho 3 0.500 0.000 3.000 same as X -c3-oh-X , penalty score= 0.0
c2-ce-ce-c6 1 0.450 180.000 3.000 same as c2-ce-ce-c3, penalty score= 0.0
c3-c6-c6-c6 1 0.520 0.000 3.000 same as c3-c3-c3-c3, 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
cf-c2-c6-c6 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
cf-c2-c6-hc 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
cf-c2-c5-c5 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
cf-c2-c5-hc 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
c2-c6-c6-c6 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c2-c6-c6-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c2-c5-c5-c6 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c2-c5-c5-c3 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c2-c5-c5-c5 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c2-c5-c5-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c6-c2-c5-c5 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
c6-c2-c5-hc 1 0.150 0.000 3.000 same as c3-c2-c3-hc, penalty score= 0.0
c5-c6-c6-c6 1 0.520 0.000 3.000 same as c3-c3-c3-c3, penalty score= 0.0
c5-c5-c6-c6 1 0.520 0.000 3.000 same as c3-c3-c3-c3, penalty score= 0.0
c3-c5-c6-c6 1 0.520 0.000 3.000 same as c3-c3-c3-c3, penalty score= 0.0
hc-c3-c5-c6 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c5-c5-c5-c6 1 0.520 0.000 3.000 same as c3-c3-c3-c3, penalty score= 0.0
c6-c5-c5-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c5-c2-c6-c6 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
c5-c2-c6-hc 1 0.150 0.000 3.000 same as c3-c2-c3-hc, penalty score= 0.0
hc-c3-c5-c5 1 0.130 0.000 3.000 same as c3-c3-c3-hc, 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-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, 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
c5-c5-c5-os 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c3-c5-c5-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, 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
h1-c5-os-c5 1 0.337 0.000 3.000 same as h1-c3-os-c3, penalty score= 0.0
c3-c3-c5-c5 1 0.520 0.000 3.000 same as c3-c3-c3-c3, 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
hc-c5-c5-os 1 0.000 0.000 -3.000 same as hc-c3-c3-os
hc-c5-c5-os 1 0.250 0.000 1.000 same as hc-c3-c3-os, penalty score= 0.0
hc-c3-c5-os 1 0.000 0.000 -3.000 same as hc-c3-c3-os
hc-c3-c5-os 1 0.250 0.000 1.000 same as hc-c3-c3-os, penalty score= 0.0
c3-c5-c5-os 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c3-c3-c3-c5 1 0.520 0.000 3.000 same as c3-c3-c3-c3, penalty score= 0.0
c5-c3-c3-oh 1 0.180 0.000 3.000 same as c3-c3-c3-oh, penalty score= 0.0
h1-c6-oh-ho 1 0.123 0.000 3.000 same as h1-c3-oh-ho, 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
ce-c6-c6-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
hc-c3-c6-hc 1 0.120 0.000 3.000 same as hc-c3-c3-hc, penalty score= 0.0
ce-c6-c6-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c6-ce-c2 1 0.260 180.000 3.000 same as c2-c2-c3-hc, penalty score=324.0
h1-c6-ce-ce 1 0.260 180.000 3.000 same as c2-c2-c3-hc, penalty score=411.0
hc-c6-ce-ce 1 0.260 180.000 3.000 same as c2-c2-c3-hc, penalty score=324.0
hc-c6-ce-cf 1 0.260 180.000 3.000 same as c2-c2-c3-hc, penalty score=324.0
hc-c6-c6-hc 1 0.120 0.000 3.000 same as hc-c3-c3-hc, penalty score= 0.0
c5-c6-c6-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c5-c5-c6-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c3-c5-c6-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
hc-c5-c5-hc 1 0.120 0.000 3.000 same as hc-c3-c3-hc, 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
c3-c5-c5-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c5-c5-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c3-c3-c5-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
hc-c3-c5-hc 1 0.120 0.000 3.000 same as hc-c3-c3-hc, penalty score= 0.0
IMPROPER
c2-c6-ce-ce 1.1 180.0 2.0 Using the default value
ce-ha-c2-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 47.1 (use general term))
c6-ce-ce-cf 1.1 180.0 2.0 Using the default value
ce-cf-cf-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 46.8 (use general term))
c2-cf-cf-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 46.8 (use general term))
c5-c6-c2-cf 1.1 180.0 2.0 Using the default value
NONBON