Remark line goes here MASS BOND ANGLE cc-n2-n 70.500 118.470 same as cc-n2-nh, penalty score= 1.8 DIHE n -cc-n2-n 2 9.500 180.000 2.000 same as X -cc-nc-X , penalty score=218.5 c3-cc-n2-n 2 9.500 180.000 2.000 same as X -cc-nc-X , penalty score=218.5 IMPROPER c -c3-n -cc 1.1 180.0 2.0 Using the default value c -hn-n -n2 1.1 180.0 2.0 Same as X -X -n -hn, penalty score= 33.8 (use general term)) ca-o -no-o 1.1 180.0 2.0 Using the default value c3-n -cc-n2 1.1 180.0 2.0 Using the default value n -n -c -s 1.1 180.0 2.0 Using the default value ca-ca-ca-ss 1.1 180.0 2.0 Using the default value ca-ca-ca-no 1.1 180.0 2.0 Using the default value c2-c3-c2-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 47.1 (use general term)) ca-ca-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0) c2-ha-c2-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 47.1 (use general term)) NONBON