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X1J.frcmod
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MASS
BOND
ANGLE
DIHE
n -c5-ca-ca 6 0.000 0.000 2.000 same as X -c3-ca-X , penalty score= 0.0
h1-c5-ca-ca 6 0.000 0.000 2.000 same as X -c3-ca-X , penalty score= 0.0
ca-ca-nv-hn 4 4.200 180.000 2.000 same as X -ca-nh-X , penalty score= 0.0
ca-c5-n -c5 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
ca-c5-n -c 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
c3-c -n -c5 1 1.410 180.000 -2.000 same as c3-c -n -c3
c3-c -n -c5 1 2.930 0.000 -1.000 same as c3-c -n -c3
c3-c -n -c5 1 0.500 0.000 3.000 same as c3-c -n -c3, penalty score= 0.0
h1-c5-n -c5 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
h1-c5-n -c 1 0.000 180.000 2.000 same as h1-c3-n -c , 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)
c5-ca-ca-ca 1.1 180.0 2.0 Using the default value
c -c5-n -c5 1.1 180.0 2.0 Using the default value
ca-ca-ca-nv 1.1 180.0 2.0 Using the default value
c3-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
ca-hn-nv-hn 1.1 180.0 2.0 Using the default value
NONBON