Remark line goes here MASS BOND ANGLE DIHE nb-ca-nv-hn 4 4.200 180.000 2.000 same as X -ca-nh-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 ca-ca-cd-ch 4 2.800 180.000 2.000 same as X -c2-ca-X , penalty score=232.0 ca-ca-nv-hn 4 4.200 180.000 2.000 same as X -ca-nh-X , penalty score= 0.0 ca-cd-ch-n1 2 0.000 180.000 2.000 same as X -c1-cd-X , penalty score= 97.0 ca-ca-cc-na 4 4.390 180.000 2.000 same as ca-ca-ce-na, penalty score=136.0 cc-cd-ch-n1 2 0.000 180.000 2.000 same as X -c1-cd-X , penalty score= 97.0 ca-ca-cc-cd 1 0.585 180.000 2.000 same as ca-ca-ce-c2, penalty score=223.0 IMPROPER c3-nb-ca-nb 10.5 180.0 2.0 Same as X -n2-ca-n2, penalty score= 48.6 (use general term)) ca-nb-ca-nv 1.1 180.0 2.0 Using the default value ca-hn-nv-hn 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-na-ca-nb 1.1 180.0 2.0 Using the default value ca-cc-na-hn 1.1 180.0 2.0 Using general improper torsional angle X- X-na-hn, penalty score= 6.0) ca-cd-cc-na 1.1 180.0 2.0 Using the default value ca-cc-cd-ch 1.1 180.0 2.0 Using the default value ca-ca-ca-cc 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-h4-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.3 (use general term)) NONBON