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Copy path23Z.frcmod
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23Z.frcmod
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MASS
BOND
ANGLE
DIHE
c6-c6-n -c 1 0.650 180.000 -4.000 same as c3-c3-n -c
c6-c6-n -c 1 0.030 180.000 -3.000 same as c3-c3-n -c
c6-c6-n -c 1 2.260 0.000 1.000 same as c3-c3-n -c , penalty score= 0.0
h1-c6-n -c 1 0.000 180.000 2.000 same as h1-c3-n -c , penalty score= 0.0
cd-c6-n -c 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
cc-c6-c6-n 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
hc-c6-c6-n 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
cd-c6-n -c6 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
h1-c6-n -c6 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
c6-c6-cc-cd 1 0.157 180.000 3.000 same as c3-c3-cc-cd, penalty score= 0.0
c6-c6-cc-na 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score= 0.0
n -c6-cd-cc 6 0.000 0.000 3.000 same as X -c3-cd-X , penalty score= 0.0
h1-c6-cd-cc 6 0.000 0.000 3.000 same as X -c3-cd-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
c6-c6-n -c6 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
n -c6-cd-cd 6 0.000 0.000 3.000 same as X -c3-cd-X , penalty score= 0.0
h1-c6-cd-cd 6 0.000 0.000 3.000 same as X -c3-cd-X , penalty score= 0.0
ca-ca-cd-nc 4 4.000 180.000 -2.000 same as ca-ce-ce-n2
ca-ca-cd-nc 1 0.750 180.000 -3.000 same as ca-ce-ce-n2
ca-ca-cd-nc 1 0.820 180.000 1.000 same as ca-ce-ce-n2, penalty score=780.0
c3-c3-n3-c6 1 0.730 0.000 3.000 same as c3-c3-n3-c3, 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
h1-c6-n3-c3 1 0.225 0.000 3.000 same as h1-c3-n3-c3, 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
c6-c6-n3-c6 1 0.730 0.000 3.000 same as c3-c3-n3-c3, penalty score= 0.0
h1-c6-n3-c6 1 0.225 0.000 3.000 same as h1-c3-n3-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
c3-c6-c6-c6 1 0.520 0.000 3.000 same as c3-c3-c3-c3, 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
oh-c3-c6-c6 1 0.180 0.000 3.000 same as c3-c3-c3-oh, penalty score= 0.0
c3-c3-c6-c6 1 0.520 0.000 3.000 same as c3-c3-c3-c3, 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-c3-oh-ho 1 0.060 0.000 3.000 same as c3-c3-oh-ho, penalty score= 0.0
c6-c3-c3-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c3-c6-c6-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c3-c -n -c6 1 1.410 180.000 -2.000 same as c3-c -n -c3
c3-c -n -c6 1 2.930 0.000 -1.000 same as c3-c -n -c3
c3-c -n -c6 1 0.500 0.000 3.000 same as c3-c -n -c3, penalty score= 0.0
cc-c6-c6-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , 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
hc-c6-cc-cd 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score= 0.0
hc-c6-cc-na 6 0.000 0.000 3.000 same as X -c3-cc-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
hc-c6-c6-hc 1 0.120 0.000 3.000 same as hc-c3-c3-hc, penalty score= 0.0
oh-c3-c6-hc 1 0.090 0.000 3.000 same as hc-c3-c3-oh, penalty score= 0.0
c3-c3-c6-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
IMPROPER
c3-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
c -c6-n -c6 1.1 180.0 2.0 Same as X -c3-n -c3, penalty score= 3.0 (use general term))
c6-cd-cc-na 1.1 180.0 2.0 Using the default value
c6-cc-cd-cd 1.1 180.0 2.0 Using the default value
ca-cd-cd-nc 1.1 180.0 2.0 Using the default value
c3-cc-na-nc 1.1 180.0 2.0 Using the default value
ca-ca-ca-cd 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-ss 1.1 180.0 2.0 Using the default value
c -cc-n -cc 1.1 180.0 2.0 Using the default value
cd-h4-cc-n 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))
NONBON