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X7N.frcmod
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MASS
BOND
ANGLE
DIHE
ca-ca-ns-hn 4 1.800 180.000 2.000 same as X -ca-n -X , penalty score= 0.0
ca-ca-cd-cc 1 3.770 180.000 2.000 same as ca-ca-ce-cc, penalty score=142.0
c3-c3-n3-c6 1 0.730 0.000 3.000 same as c3-c3-n3-c3, penalty score= 0.0
cc-c -ns-ca 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
cc-c -ns-hn 4 10.000 180.000 2.000 same as X -c -n -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-n3-c6 1 0.730 0.000 3.000 same as c3-c3-n3-c3, penalty score= 0.0
ca-ca-cd-na 4 4.390 180.000 2.000 same as ca-ca-ce-na, penalty score=142.0
n3-c6-c6-os 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
o -c -ns-ca 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
h1-c6-c6-os 1 0.000 0.000 -3.000 same as h1-c3-c3-os
h1-c6-c6-os 1 0.250 0.000 1.000 same as h1-c3-c3-os, 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-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
h1-c6-n3-c6 1 0.225 0.000 3.000 same as h1-c3-n3-c3, penalty score= 0.0
h1-c6-os-c6 1 0.337 0.000 3.000 same as h1-c3-os-c3, 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)
cc-cd-cc-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 38.9 (use general term))
ca-cc-cd-na 1.1 180.0 2.0 Using the default value
ca-ca-ca-cd 1.1 180.0 2.0 Using the default value
c3-cc-cd-na 1.1 180.0 2.0 Using the default value
c -cc-cc-cd 1.1 180.0 2.0 Using the default value
cc-ns-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
ca-ca-ca-ns 1.1 180.0 2.0 Using the default value
c3-cd-na-cd 1.1 180.0 2.0 Same as c2-c2-na-c3, penalty score= 42.6)
c -ca-ns-hn 1.1 180.0 2.0 Same as X -X -n -hn, penalty score= 6.0 (use general term))
NONBON