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X1N.frcmod
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MASS
BOND
ANGLE
DIHE
cf-ce-no-o 1 1.075 180.000 2.000 same as cc-cd-no-o , penalty score=229.0
ce-ce-no-o 1 1.075 180.000 2.000 same as cc-cd-no-o , penalty score=229.0
cf-cf-ne-ca 1 0.400 0.000 3.000 same as c2-ce-ne-c2, penalty score=492.0
ce-c2-c6-cf 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
ce-c2-c6-hc 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
c2-c6-cf-cf 6 0.400 180.000 -3.000 same as c2-c3-cc-cd
c2-c6-cf-cf 1 0.690 0.000 1.000 same as c2-c3-cc-cd, penalty score=229.0
c2-c6-cf-ne 1 0.750 180.000 3.000 same as n2-c2-c3-c2, penalty score=324.0
c6-cf-ne-ca 1 0.530 180.000 3.000 same as c3-ce-ne-c2, penalty score=405.0
nb-ca-cc-ss 4 2.800 180.000 2.000 same as X -c2-ca-X , penalty score=232.0
nb-ca-cc-cd 4 4.000 180.000 -2.000 same as ca-ce-ce-n2
nb-ca-cc-cd 1 0.750 180.000 -3.000 same as ca-ce-ce-n2
nb-ca-cc-cd 1 0.820 180.000 1.000 same as ca-ce-ce-n2, penalty score=861.0
ca-cc-ss-cc 1 0.000 180.000 -2.000 same as cd-cc-ss-cc
ca-cc-ss-cc 1 0.000 0.000 -3.000 same as cd-cc-ss-cc
ca-cc-ss-cc 1 1.260 180.000 1.000 same as cd-cc-ss-cc, penalty score= 87.0
c3-cc-ss-cc 2 2.200 180.000 2.000 same as X -c2-ss-X , penalty score=232.0
nd-cc-ss-cc 2 3.300 180.000 2.000 same as n2-c2-ss-cc, penalty score=319.0
c6-c6-cd-cc 1 0.157 180.000 3.000 same as c3-c3-cd-cc, penalty score= 0.0
hc-c6-cd-cc 6 0.000 0.000 3.000 same as X -c3-cd-X , penalty score= 0.0
c6-c6-cd-nd 6 0.000 0.000 3.000 same as X -c3-cd-X , penalty score= 0.0
hc-c6-cd-nd 6 0.000 0.000 3.000 same as X -c3-cd-X , penalty score= 0.0
ca-c6-c6-cd 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
cd-c6-c6-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c6-c6-ca-ca 1 0.240 180.000 2.000 same as c3-c3-ca-ca, penalty score= 0.0
ca-ca-cc-ss 4 2.800 180.000 2.000 same as X -c2-ca-X , penalty score=232.0
ca-ca-cc-cd 1 0.585 180.000 2.000 same as ca-ca-ce-c2, penalty score=223.0
ha-c2-c6-cf 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
ha-c2-c6-hc 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
hc-c6-cf-cf 1 0.260 180.000 3.000 same as c2-c2-c3-hc, penalty score=324.0
hc-c6-cf-ne 6 0.000 0.000 3.000 same as X -c3-cd-X , penalty score=136.0
ca-c6-c6-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , 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-ca-ca 1 0.000 0.000 1.000 same as hc-c3-ca-ca, penalty score= 0.0
IMPROPER
ce-o -no-o 1.1 180.0 2.0 Using the default value
ce-cf-ce-no 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-ce-ce-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 46.8 (use general term))
c6-ce-c2-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 47.1 (use general term))
c6-cf-cf-ne 1.1 180.0 2.0 Using the default value
nb-nb-ca-ne 10.5 180.0 2.0 Same as X -n2-ca-n2, penalty score= 48.6 (use general term))
ca-cc-ca-nb 1.1 180.0 2.0 Using the default value
ca-cd-cc-ss 1.1 180.0 2.0 Using the default value
c3-nd-cc-ss 1.1 180.0 2.0 Using the default value
c6-cc-cd-nd 1.1 180.0 2.0 Using the default value
c6-ca-ca-ca 1.1 180.0 2.0 Using the default value
ca-h4-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.3 (use general term))
NONBON