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Copy path277.frcmod
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277.frcmod
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MASS
BOND
ANGLE
DIHE
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
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
c6-c6-n -c3 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
c6-c6-c6-n 1 0.100 0.000 3.000 same as c3-c3-c3-n , 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
c3-c3-c6-c6 1 0.520 0.000 3.000 same as c3-c3-c3-c3, 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
c -c3-c3-c6 1 0.000 0.000 -3.000 same as c -c3-c3-c3
c -c3-c3-c6 1 0.040 0.000 -2.000 same as c -c3-c3-c3
c -c3-c3-c6 1 0.460 180.000 1.000 same as c -c3-c3-c3, penalty score= 0.0
c6-c3-c3-n8 1 0.520 0.000 3.000 same as c3-c3-c3-n8, 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-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
c3-c6-c6-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, 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
c -c3-n8-hn 6 1.800 0.000 3.000 same as X -c3-n3-X , penalty score= 0.0
c5-c5-n -c 1 0.650 180.000 -4.000 same as c3-c3-n -c
c5-c5-n -c 1 0.030 180.000 -3.000 same as c3-c3-n -c
c5-c5-n -c 1 2.260 0.000 1.000 same as c3-c3-n -c , 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
c5-c5-c5-n 1 0.100 0.000 3.000 same as c3-c3-c3-n , penalty score= 0.0
f -c5-c5-n 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c5-c5-n 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c5-c5-n -c5 6 0.000 0.000 2.000 same as X -c3-n -X , 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
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
c5-c5-c5-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c5-c5-c5-f 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
f -c5-c5-hc 1 0.090 0.000 3.000 same as f -c3-c3-hc, 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-c6-n 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
c3-c3-c6-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, 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
h1-c6-n -c 1 0.000 180.000 2.000 same as h1-c3-n -c , penalty score= 0.0
h1-c6-n -c3 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
h1-c3-n8-hn 6 1.800 0.000 3.000 same as X -c3-n3-X , penalty score= 0.0
f -c5-c5-h1 1 0.000 0.000 -3.000 same as f -c3-c3-h1
f -c5-c5-h1 1 0.190 0.000 1.000 same as f -c3-c3-h1, penalty score= 0.0
h1-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
hc-c5-c5-n 9 1.400 0.000 3.000 same as X -c3-c3-X , 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 -c5-n -c5 1.1 180.0 2.0 Using the default value
c -c3-n -c6 1.1 180.0 2.0 Using the default value
NONBON